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

C20H29NO2 — CID 15523776

IUPAC(1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOCCOc1cccc(CN[C@@H]2C[C@@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1
InChIInChI=1S/C20H29NO2/c1-22-8-9-23-16-5-2-4-14(10-16)13-21-20-12-15-11-19(20)18-7-3-6-17(15)18/h2,4-5,10,15,17-21H,3,6-9,11-13H2,1H3/t15-,17+,18+,19-,20+/m0/s1
InChIKeyFWMMIMNUOFZWCB-FAJAVTLNSA-N
MW315.46 g/mol
LogP3.63
Rot. Bonds7

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

(1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 15523776) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name(1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID15523776
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOCCOc1cccc(CN[C@@H]2C[C@@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1
InChIInChI=1S/C20H29NO2/c1-22-8-9-23-16-5-2-4-14(10-16)13-21-20-12-15-11-19(20)18-7-3-6-17(15)18/h2,4-5,10,15,17-21H,3,6-9,11-13H2,1H3/t15-,17+,18+,19-,20+/m0/s1
InChIKeyFWMMIMNUOFZWCB-FAJAVTLNSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 15523767
(1R,2R,6S,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 18557367
[3-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenyl]methanol;hydrochloride
CID 139951785
N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392190
(2R,3S)-N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine
CID 129005833
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine
CID 112839371
(1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 11946796
1-[(3R,4S)-4-[[3-(2-methoxyethoxy)phenyl]methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97093572
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
CID 55199783

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of (1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 15523776) is (1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for (1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for (1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine is COCCOc1cccc(CN[C@@H]2C[C@@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1.
What is the InChIKey of (1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is FWMMIMNUOFZWCB-FAJAVTLNSA-N. The full InChI is InChI=1S/C20H29NO2/c1-22-8-9-23-16-5-2-4-14(10-16)13-21-20-12-15-11-19(20)18-7-3-6-17(15)18/h2,4-5,10,15,17-21H,3,6-9,11-13H2,1H3/t15-,17+,18+,19-,20+/m0/s1.
What are the key properties of (1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine?
(1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 315.46 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 15523776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).