N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine

C17H25ClFN — CID 64715701

IUPACN-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1F)C1CCCC(C)C1
InChIInChI=1S/C17H25ClFN/c1-3-10-20-17(13-7-4-6-12(2)11-13)14-8-5-9-15(18)16(14)19/h5,8-9,12-13,17,20H,3-4,6-7,10-11H2,1-2H3
InChIKeyAZLPYSAVYVUAJQ-UHFFFAOYSA-N
MW297.84 g/mol
LogP5.35
Rot. Bonds5

About N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine

N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine (PubChem CID 64715701) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
PubChem CID64715701
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC NameN-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1F)C1CCCC(C)C1
InChIInChI=1S/C17H25ClFN/c1-3-10-20-17(13-7-4-6-12(2)11-13)14-8-5-9-15(18)16(14)19/h5,8-9,12-13,17,20H,3-4,6-7,10-11H2,1-2H3
InChIKeyAZLPYSAVYVUAJQ-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.84
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638
N-[(2,3-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104989068
N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 104988970
N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 63415343
N-[(4-bromo-3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 106762415
N-[(3-iodophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991968
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394
N-[(3-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 82791518
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544174
N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992020
[(2-fluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313617

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine (CID 64715701) is N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine is CCCNC(c1cccc(Cl)c1F)C1CCCC(C)C1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine?
The InChIKey is AZLPYSAVYVUAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-3-10-20-17(13-7-4-6-12(2)11-13)14-8-5-9-15(18)16(14)19/h5,8-9,12-13,17,20H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine?
N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine has a molecular weight of 297.84 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 64715701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).