N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine

C17H24ClN — CID 81366711

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
SMILESC[C@H](NC1CCCC(C2CC2)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H24ClN/c1-12(14-4-2-6-16(18)10-14)19-17-7-3-5-15(11-17)13-8-9-13/h2,4,6,10,12-13,15,17,19H,3,5,7-9,11H2,1H3/t12-,15?,17?/m0/s1
InChIKeyQCNHUEZRWAUKDB-VWDMACCTSA-N
MW277.84 g/mol
LogP4.96
Rot. Bonds4

About N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine

N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine (PubChem CID 81366711) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
PubChem CID81366711
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
SMILESC[C@H](NC1CCCC(C2CC2)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H24ClN/c1-12(14-4-2-6-16(18)10-14)19-17-7-3-5-15(11-17)13-8-9-13/h2,4,6,10,12-13,15,17,19H,3,5,7-9,11H2,1H3/t12-,15?,17?/m0/s1
InChIKeyQCNHUEZRWAUKDB-VWDMACCTSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 81350676
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963
3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine
CID 64593706
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81368804
4-tert-butyl-N-[1-(3-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089853
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 81365897
ethyl 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexane-1-carboxylate
CID 104881605
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43223783
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
CID 81366828
N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392322
2-[1-(3-chlorophenyl)ethylamino]cyclopentan-1-ol
CID 60713491

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine (CID 81366711) is N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine is C[C@H](NC1CCCC(C2CC2)C1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The InChIKey is QCNHUEZRWAUKDB-VWDMACCTSA-N. The full InChI is InChI=1S/C17H24ClN/c1-12(14-4-2-6-16(18)10-14)19-17-7-3-5-15(11-17)13-8-9-13/h2,4,6,10,12-13,15,17,19H,3,5,7-9,11H2,1H3/t12-,15?,17?/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine has a molecular weight of 277.84 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine is sourced from PubChem (CID 81366711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).