N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine

C16H23ClFN — CID 81045069

IUPACN-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(F)cc1Cl)C1CCCC1
InChIInChI=1S/C16H23ClFN/c1-3-8-19-16(12-6-4-5-7-12)13-9-11(2)15(18)10-14(13)17/h9-10,12,16,19H,3-8H2,1-2H3
InChIKeyGXGHPPRZCGHOSN-UHFFFAOYSA-N
MW283.82 g/mol
LogP5.02
Rot. Bonds5

About N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine

N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine (PubChem CID 81045069) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine
PubChem CID81045069
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC NameN-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(F)cc1Cl)C1CCCC1
InChIInChI=1S/C16H23ClFN/c1-3-8-19-16(12-6-4-5-7-12)13-9-11(2)15(18)10-14(13)17/h9-10,12,16,19H,3-8H2,1-2H3
InChIKeyGXGHPPRZCGHOSN-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.82
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine
CID 115779199
N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
CID 113319474
N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 81045921
1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclobutyl-N-methylmethanamine
CID 81045832
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 81045986
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881354
1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 81045290
N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
CID 106878892
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 62789509

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine (CID 81045069) is N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine is CCCNC(c1cc(C)c(F)cc1Cl)C1CCCC1.
What is the InChIKey of N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine?
The InChIKey is GXGHPPRZCGHOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-3-8-19-16(12-6-4-5-7-12)13-9-11(2)15(18)10-14(13)17/h9-10,12,16,19H,3-8H2,1-2H3.
What are the key properties of N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine?
N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine is sourced from PubChem (CID 81045069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).