N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine

C18H28FN — CID 106881354

IUPACN-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)cc(C)cc1F)C1CCCCC1
InChIInChI=1S/C18H28FN/c1-4-10-20-18(15-8-6-5-7-9-15)17-14(3)11-13(2)12-16(17)19/h11-12,15,18,20H,4-10H2,1-3H3
InChIKeyQWGQQSZGZOOKTC-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.06
Rot. Bonds5

About N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine

N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine (PubChem CID 106881354) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
PubChem CID106881354
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)cc(C)cc1F)C1CCCCC1
InChIInChI=1S/C18H28FN/c1-4-10-20-18(15-8-6-5-7-9-15)17-14(3)11-13(2)12-16(17)19/h11-12,15,18,20H,4-10H2,1-3H3
InChIKeyQWGQQSZGZOOKTC-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195
N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
CID 106878892
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine
CID 81045069
N-[cycloheptyl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 82932686
N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine
CID 43495413
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
N-[(2-fluoro-4,6-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 106881806
N-[(3-bromo-5-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981193
N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine
CID 115779199
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine (CID 106881354) is N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1c(C)cc(C)cc1F)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is QWGQQSZGZOOKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-4-10-20-18(15-8-6-5-7-9-15)17-14(3)11-13(2)12-16(17)19/h11-12,15,18,20H,4-10H2,1-3H3.
What are the key properties of N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine?
N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106881354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).