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

C17H22ClN — CID 60798618

IUPAC8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESNC1(Cc2ccc(Cl)cc2)CC2CC1C1CCCC21
InChIInChI=1S/C17H22ClN/c18-13-6-4-11(5-7-13)9-17(19)10-12-8-16(17)15-3-1-2-14(12)15/h4-7,12,14-16H,1-3,8-10,19H2
InChIKeyLSWBUEBDCFZRLV-UHFFFAOYSA-N
MW275.82 g/mol
LogP4.04
Rot. Bonds2

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

8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 60798618) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID60798618
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC Name8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESNC1(Cc2ccc(Cl)cc2)CC2CC1C1CCCC21
InChIInChI=1S/C17H22ClN/c18-13-6-4-11(5-7-13)9-17(19)10-12-8-16(17)15-3-1-2-14(12)15/h4-7,12,14-16H,1-3,8-10,19H2
InChIKeyLSWBUEBDCFZRLV-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 55028623
8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 104802748
8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 60799197
1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine
CID 84699183
1-benzyl-2-cyclopropylcyclopropan-1-amine
CID 84661114
8-[(3-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 60799336
1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64516003
8-[(3-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 65147340
2-[8-(2-hydroxyphenyl)-8-tricyclo[5.2.1.02,6]decanyl]phenol
CID 19877938
3-[(4-chlorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112563994
8-(2,4-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 62802507
8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 104801466

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of 8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 60798618) is 8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for 8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for 8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is NC1(Cc2ccc(Cl)cc2)CC2CC1C1CCCC21.
What is the InChIKey of 8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is LSWBUEBDCFZRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN/c18-13-6-4-11(5-7-13)9-17(19)10-12-8-16(17)15-3-1-2-14(12)15/h4-7,12,14-16H,1-3,8-10,19H2.
What are the key properties of 8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 275.82 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 60798618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).