N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

C18H25NO — CID 43392190

IUPACN-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOc1ccc(CNC2CC3CC2C2CCCC32)cc1
InChIInChI=1S/C18H25NO/c1-20-14-7-5-12(6-8-14)11-19-18-10-13-9-17(18)16-4-2-3-15(13)16/h5-8,13,15-19H,2-4,9-11H2,1H3
InChIKeySKNIODXSIQSISI-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.61
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43392190) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43392190
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOc1ccc(CNC2CC3CC2C2CCCC32)cc1
InChIInChI=1S/C18H25NO/c1-20-14-7-5-12(6-8-14)11-19-18-10-13-9-17(18)16-4-2-3-15(13)16/h5-8,13,15-19H,2-4,9-11H2,1H3
InChIKeySKNIODXSIQSISI-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid
CID 65347724
(1R,2R,6S,7R,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 11946796
(1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 15523776
N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 66413966
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine
CID 167008714
2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 106364903
(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

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 43392190) is N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is COc1ccc(CNC2CC3CC2C2CCCC32)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is SKNIODXSIQSISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-20-14-7-5-12(6-8-14)11-19-18-10-13-9-17(18)16-4-2-3-15(13)16/h5-8,13,15-19H,2-4,9-11H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 271.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43392190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).