4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine

C21H25ClN2 — CID 170087346

IUPAC4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine
SMILESNC1CCC(N[C@H]2CC2c2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H25ClN2/c22-17-7-5-15(6-8-17)14-1-3-16(4-2-14)20-13-21(20)24-19-11-9-18(23)10-12-19/h1-8,18-21,24H,9-13,23H2/t18?,19?,20?,21-/m0/s1
InChIKeyLQYQJOCXYVTVDS-FNNAPWSISA-N
MW340.90 g/mol
LogP4.72
Rot. Bonds4

About 4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine

4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine (PubChem CID 170087346) has the molecular formula C21H25ClN2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine
PubChem CID170087346
Molecular FormulaC21H25ClN2
Molecular Weight340.90 g/mol
Exact Mass340.17
IUPAC Name4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine
SMILESNC1CCC(N[C@H]2CC2c2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H25ClN2/c22-17-7-5-15(6-8-17)14-1-3-16(4-2-14)20-13-21(20)24-19-11-9-18(23)10-12-19/h1-8,18-21,24H,9-13,23H2/t18?,19?,20?,21-/m0/s1
InChIKeyLQYQJOCXYVTVDS-FNNAPWSISA-N
XLogP4.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-chlorophenyl)-4-methylpentyl]-1-methylpiperidin-4-amine
CID 17583254
(RS/SR)-2-[1-(4-chlorophenyl)ethyl]piperidine
CID 16102749
(RS/SR)-2-[1-(4-chlorophenyl)propyl]piperidine
CID 16102750
(RS/SR)-2-[1-(4-chlorophenyl)butyl]piperidine
CID 16102751
(RS/SR)-2-[1-(4-chlorophenyl)pentyl]piperidine
CID 16102753
(RS/SR)-2-[1-(4-chlorophenyl)hexyl]piperidine
CID 16102754
N-(3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl)-1-methylpiperidin-4-amine
CID 17584926
N-{[4-(4-chlorophenyl)phenyl]methyl}-1-(propan-2-yl)piperidin-4-amine
CID 23614405
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
(RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]piperodine
CID 11499957
(RR/SS)-2-[1-(4-chlorophenyl)-2-methylpropyl]piperidine
CID 16102752
(RR/SS)-2-[1-(4-chlorophenyl)-4-methylpentyl]piperidine
CID 16102755

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine (CID 170087346) is 4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine is NC1CCC(N[C@H]2CC2c2ccc(-c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine?
The InChIKey is LQYQJOCXYVTVDS-FNNAPWSISA-N. The full InChI is InChI=1S/C21H25ClN2/c22-17-7-5-15(6-8-17)14-1-3-16(4-2-14)20-13-21(20)24-19-11-9-18(23)10-12-19/h1-8,18-21,24H,9-13,23H2/t18?,19?,20?,21-/m0/s1.
What are the key properties of 4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine?
4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine has a molecular weight of 340.90 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 170087346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).