1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine

C14H18ClF2N — CID 114146428

IUPAC1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine
SMILESFc1cc(F)cc(CNCC2CCCC(Cl)C2)c1
InChIInChI=1S/C14H18ClF2N/c15-12-3-1-2-10(4-12)8-18-9-11-5-13(16)7-14(17)6-11/h5-7,10,12,18H,1-4,8-9H2
InChIKeyYISRQVLCDQNPHK-UHFFFAOYSA-N
MW273.75 g/mol
LogP3.85
Rot. Bonds4

About 1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine

1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine (PubChem CID 114146428) has the molecular formula C14H18ClF2N and a molecular weight of 273.75 g/mol. Its IUPAC name is 1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine
PubChem CID114146428
Molecular FormulaC14H18ClF2N
Molecular Weight273.75 g/mol
Exact Mass273.11
IUPAC Name1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine
SMILESFc1cc(F)cc(CNCC2CCCC(Cl)C2)c1
InChIInChI=1S/C14H18ClF2N/c15-12-3-1-2-10(4-12)8-18-9-11-5-13(16)7-14(17)6-11/h5-7,10,12,18H,1-4,8-9H2
InChIKeyYISRQVLCDQNPHK-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 53.85
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-(3-chlorocyclohexyl)-N-[(3-chloro-4-fluorophenyl)methyl]methanamine
CID 106122774
4-[[(3-chlorocyclohexyl)methylamino]methyl]phenol
CID 106122675
1-(3-chlorocyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 114146431
1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 106120912
N-[(3-chlorocyclohexyl)methyl]-3-fluoro-5-methylbenzamide
CID 106132483
N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231501
1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine
CID 106122381
N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106132319
[2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 114452962
N-[(3-chlorocyclohexyl)methyl]-2,5-difluorobenzenesulfonamide
CID 106135987
1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 106121365
2-bromo-N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106131826

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine?
The IUPAC name of 1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine (CID 114146428) is 1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine is Fc1cc(F)cc(CNCC2CCCC(Cl)C2)c1.
What is the InChIKey of 1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine?
The InChIKey is YISRQVLCDQNPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N/c15-12-3-1-2-10(4-12)8-18-9-11-5-13(16)7-14(17)6-11/h5-7,10,12,18H,1-4,8-9H2.
What are the key properties of 1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine?
1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine has a molecular weight of 273.75 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine is sourced from PubChem (CID 114146428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).