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

C17H22ClN — CID 15523767

IUPAC(1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESClc1cccc(CN[C@@H]2C[C@@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1
InChIInChI=1S/C17H22ClN/c18-13-4-1-3-11(7-13)10-19-17-9-12-8-16(17)15-6-2-5-14(12)15/h1,3-4,7,12,14-17,19H,2,5-6,8-10H2/t12-,14+,15+,16-,17+/m0/s1
InChIKeyZLQQYCJALXJAQS-BYHHXJKWSA-N
MW275.82 g/mol
LogP4.25
Rot. Bonds3

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

(1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 15523767) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is (1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name(1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID15523767
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC Name(1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESClc1cccc(CN[C@@H]2C[C@@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1
InChIInChI=1S/C17H22ClN/c18-13-4-1-3-11(7-13)10-19-17-9-12-8-16(17)15-6-2-5-14(12)15/h1,3-4,7,12,14-17,19H,2,5-6,8-10H2/t12-,14+,15+,16-,17+/m0/s1
InChIKeyZLQQYCJALXJAQS-BYHHXJKWSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

(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
(1S,2R,6R,7S,8R)-N-[[3-(2-methoxyethoxy)phenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 15523776
1-N,2-N-bis[(3-chlorophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040602
2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol
CID 115951364
N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223708
N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392190
N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392322
4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid
CID 65347724
N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 16775468
N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 66413966
N-(pyridin-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 20726962

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of (1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 15523767) is (1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for (1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for (1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is Clc1cccc(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-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is ZLQQYCJALXJAQS-BYHHXJKWSA-N. The full InChI is InChI=1S/C17H22ClN/c18-13-4-1-3-11(7-13)10-19-17-9-12-8-16(17)15-6-2-5-14(12)15/h1,3-4,7,12,14-17,19H,2,5-6,8-10H2/t12-,14+,15+,16-,17+/m0/s1.
What are the key properties of (1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
(1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 275.82 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 15523767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).