N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine

C16H22ClN — CID 115811298

IUPACN-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)C1C2CCCCC21
InChIInChI=1S/C16H22ClN/c1-2-18-16(11-6-5-7-12(17)10-11)15-13-8-3-4-9-14(13)15/h5-7,10,13-16,18H,2-4,8-9H2,1H3
InChIKeyLSOKEUNZUPVHJM-UHFFFAOYSA-N
MW263.81 g/mol
LogP4.43
Rot. Bonds4

About N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine

N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine (PubChem CID 115811298) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine
PubChem CID115811298
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC NameN-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)C1C2CCCCC21
InChIInChI=1S/C16H22ClN/c1-2-18-16(11-6-5-7-12(17)10-11)15-13-8-3-4-9-14(13)15/h5-7,10,13-16,18H,2-4,8-9H2,1H3
InChIKeyLSOKEUNZUPVHJM-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine
CID 115789774
N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine
CID 115811418
N-[(3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64730507
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342
N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine
CID 115791823
N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
CID 65405344
N-[7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]ethanamine
CID 105045723
N-[6-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799612
1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 115811982
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890

Frequently Asked Questions

What is the IUPAC name of N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine?
The IUPAC name of N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine (CID 115811298) is N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1)C1C2CCCCC21.
What is the InChIKey of N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine?
The InChIKey is LSOKEUNZUPVHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c1-2-18-16(11-6-5-7-12(17)10-11)15-13-8-3-4-9-14(13)15/h5-7,10,13-16,18H,2-4,8-9H2,1H3.
What are the key properties of N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine?
N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine has a molecular weight of 263.81 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 115811298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).