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

C19H21Cl2N — CID 97355554

IUPACN-[bis(4-chlorophenyl)methyl]cyclohexanamine
SMILESClc1ccc(C(NC2CCCCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21Cl2N/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
InChIKeyDLCJEKRKLHKYIX-UHFFFAOYSA-N
MW334.29 g/mol
LogP6.01
Rot. Bonds4

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

N-[bis(4-chlorophenyl)methyl]cyclohexanamine (PubChem CID 97355554) has the molecular formula C19H21Cl2N and a molecular weight of 334.29 g/mol. Its IUPAC name is N-[bis(4-chlorophenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[bis(4-chlorophenyl)methyl]cyclohexanamine
PubChem CID97355554
Molecular FormulaC19H21Cl2N
Molecular Weight334.29 g/mol
Exact Mass333.11
IUPAC NameN-[bis(4-chlorophenyl)methyl]cyclohexanamine
SMILESClc1ccc(C(NC2CCCCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21Cl2N/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
InChIKeyDLCJEKRKLHKYIX-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.29
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride
CID 117067004
N-[1-(4-chlorophenyl)propyl]cycloheptanamine
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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
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-chlorophenyl)methyl]cyclohexanamine?
The IUPAC name of N-[bis(4-chlorophenyl)methyl]cyclohexanamine (CID 97355554) is N-[bis(4-chlorophenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[bis(4-chlorophenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[bis(4-chlorophenyl)methyl]cyclohexanamine is Clc1ccc(C(NC2CCCCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[bis(4-chlorophenyl)methyl]cyclohexanamine?
The InChIKey is DLCJEKRKLHKYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N/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.
What are the key properties of N-[bis(4-chlorophenyl)methyl]cyclohexanamine?
N-[bis(4-chlorophenyl)methyl]cyclohexanamine has a molecular weight of 334.29 g/mol, XLogP of 6.01, 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 is sourced from PubChem (CID 97355554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).