1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine

C14H18Cl3N — CID 65318503

IUPAC1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine
SMILESClc1ccc(Cl)c(CNCC2CCCCC2Cl)c1
InChIInChI=1S/C14H18Cl3N/c15-12-5-6-14(17)11(7-12)9-18-8-10-3-1-2-4-13(10)16/h5-7,10,13,18H,1-4,8-9H2
InChIKeyQZNOOSCMEZVTCV-UHFFFAOYSA-N
MW306.66 g/mol
LogP4.88
Rot. Bonds4

About 1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine

1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine (PubChem CID 65318503) has the molecular formula C14H18Cl3N and a molecular weight of 306.66 g/mol. Its IUPAC name is 1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine
PubChem CID65318503
Molecular FormulaC14H18Cl3N
Molecular Weight306.66 g/mol
Exact Mass305.05
IUPAC Name1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine
SMILESClc1ccc(Cl)c(CNCC2CCCCC2Cl)c1
InChIInChI=1S/C14H18Cl3N/c15-12-5-6-14(17)11(7-12)9-18-8-10-3-1-2-4-13(10)16/h5-7,10,13,18H,1-4,8-9H2
InChIKeyQZNOOSCMEZVTCV-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.66
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorocyclopentyl)-N-[(2-chloro-5-fluorophenyl)methyl]methanamine
CID 102620173
1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine
CID 107310013
4-chloro-2-[[(2-hydroxycyclohexyl)methylamino]methyl]phenol
CID 64928657
N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-chlorocyclohexyl)methanamine
CID 65024730
N-[(2,5-dichlorophenyl)methyl]-1-[(3S)-oxolan-3-yl]methanamine
CID 96982783
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine
CID 83235836
N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416853
2-[[(2-bromo-5-chlorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 66156894
2-[[(2-chloro-5-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 102616862
2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926908
4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
CID 25163929

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine?
The IUPAC name of 1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine (CID 65318503) is 1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine is Clc1ccc(Cl)c(CNCC2CCCCC2Cl)c1.
What is the InChIKey of 1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine?
The InChIKey is QZNOOSCMEZVTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3N/c15-12-5-6-14(17)11(7-12)9-18-8-10-3-1-2-4-13(10)16/h5-7,10,13,18H,1-4,8-9H2.
What are the key properties of 1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine?
1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine has a molecular weight of 306.66 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine is sourced from PubChem (CID 65318503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).