N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride

C19H22Cl3N — CID 117067004

IUPACN-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride
SMILESCl.Clc1ccc(C(NC2CCCCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21Cl2N.ClH/c20-16-10-6-14(7-11-16)19(15-8-12-17(21)13-9-15)22-18-4-2-1-3-5-18;/h6-13,18-19,22H,1-5H2;1H
InChIKeyKSJINYSQPUHGKH-UHFFFAOYSA-N
MW370.75 g/mol
LogP6.43
Rot. Bonds4

About N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride

N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride (PubChem CID 117067004) has the molecular formula C19H22Cl3N and a molecular weight of 370.75 g/mol. Its IUPAC name is N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride
PubChem CID117067004
Molecular FormulaC19H22Cl3N
Molecular Weight370.75 g/mol
Exact Mass369.08
IUPAC NameN-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride
SMILESCl.Clc1ccc(C(NC2CCCCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21Cl2N.ClH/c20-16-10-6-14(7-11-16)19(15-8-12-17(21)13-9-15)22-18-4-2-1-3-5-18;/h6-13,18-19,22H,1-5H2;1H
InChIKeyKSJINYSQPUHGKH-UHFFFAOYSA-N
XLogP6.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.75
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[bis(4-chlorophenyl)methyl]cyclohexanamine
CID 97355554
N-[1-(4-chlorophenyl)propyl]cycloheptanamine
CID 43109081
N-[bis(4-chlorophenyl)methyl]azetidin-3-amine
CID 154046596
N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide
CID 56682756
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
CID 81165963
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride?
The IUPAC name of N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride (CID 117067004) is N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride.
What is the SMILES notation for N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride?
The canonical SMILES for N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride is Cl.Clc1ccc(C(NC2CCCCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride?
The InChIKey is KSJINYSQPUHGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N.ClH/c20-16-10-6-14(7-11-16)19(15-8-12-17(21)13-9-15)22-18-4-2-1-3-5-18;/h6-13,18-19,22H,1-5H2;1H.
What are the key properties of N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride?
N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride has a molecular weight of 370.75 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride is sourced from PubChem (CID 117067004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).