(1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine

C19H25F2NO2 — CID 11946796

IUPAC(1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOc1cc(CN[C@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@H]32)ccc1OC(F)F
InChIInChI=1S/C19H25F2NO2/c1-23-18-7-11(5-6-17(18)24-19(20)21)10-22-16-9-12-8-15(16)14-4-2-3-13(12)14/h5-7,12-16,19,22H,2-4,8-10H2,1H3/t12-,13-,14+,15-,16+/m1/s1
InChIKeySWRBZYJWFWQSBW-LJIZCISZSA-N
MW337.41 g/mol
LogP4.21
Rot. Bonds6

About (1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine

(1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 11946796) has the molecular formula C19H25F2NO2 and a molecular weight of 337.41 g/mol. Its IUPAC name is (1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name(1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID11946796
Molecular FormulaC19H25F2NO2
Molecular Weight337.41 g/mol
Exact Mass337.19
IUPAC Name(1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOc1cc(CN[C@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@H]32)ccc1OC(F)F
InChIInChI=1S/C19H25F2NO2/c1-23-18-7-11(5-6-17(18)24-19(20)21)10-22-16-9-12-8-15(16)14-4-2-3-13(12)14/h5-7,12-16,19,22H,2-4,8-10H2,1H3/t12-,13-,14+,15-,16+/m1/s1
InChIKeySWRBZYJWFWQSBW-LJIZCISZSA-N
XLogP4.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine with MolForge

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124735238
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80611753
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine
CID 43317436
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915043
3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43063113
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640
2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 8558997
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79351929
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 47009227
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9096186
5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one
CID 63378779

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of (1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 11946796) is (1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for (1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for (1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine is COc1cc(CN[C@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@H]32)ccc1OC(F)F.
What is the InChIKey of (1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is SWRBZYJWFWQSBW-LJIZCISZSA-N. The full InChI is InChI=1S/C19H25F2NO2/c1-23-18-7-11(5-6-17(18)24-19(20)21)10-22-16-9-12-8-15(16)14-4-2-3-13(12)14/h5-7,12-16,19,22H,2-4,8-10H2,1H3/t12-,13-,14+,15-,16+/m1/s1.
What are the key properties of (1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine?
(1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 337.41 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 11946796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).