7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine

C14H18ClN — CID 79331073

IUPAC7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine
SMILESNC1(Cc2cccc(Cl)c2)C2CCCCC21
InChIInChI=1S/C14H18ClN/c15-11-5-3-4-10(8-11)9-14(16)12-6-1-2-7-13(12)14/h3-5,8,12-13H,1-2,6-7,9,16H2
InChIKeySNSKHSDTULRDKE-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.40
Rot. Bonds2

About 7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine

7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine (PubChem CID 79331073) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine.

Molecular Properties

Compound Name7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine
PubChem CID79331073
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine
SMILESNC1(Cc2cccc(Cl)c2)C2CCCCC21
InChIInChI=1S/C14H18ClN/c15-11-5-3-4-10(8-11)9-14(16)12-6-1-2-7-13(12)14/h3-5,8,12-13H,1-2,6-7,9,16H2
InChIKeySNSKHSDTULRDKE-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine
CID 84699183
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797404
1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430001
2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 65020172
3-[(3-chlorophenyl)methyl]thietan-3-ol
CID 83689574
4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine
CID 65020395
2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66466260
3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538936
2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 60799487
1-[(3-chlorophenyl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 65376639

Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine?
The IUPAC name of 7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine (CID 79331073) is 7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine.
What is the SMILES notation for 7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine?
The canonical SMILES for 7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine is NC1(Cc2cccc(Cl)c2)C2CCCCC21.
What is the InChIKey of 7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine?
The InChIKey is SNSKHSDTULRDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c15-11-5-3-4-10(8-11)9-14(16)12-6-1-2-7-13(12)14/h3-5,8,12-13H,1-2,6-7,9,16H2.
What are the key properties of 7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine?
7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine has a molecular weight of 235.76 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine is sourced from PubChem (CID 79331073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).