N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine

C18H28FN — CID 107448621

IUPACN-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCc1cc(F)ccc1CCNC1CCCC(C(C)C)C1
InChIInChI=1S/C18H28FN/c1-13(2)16-5-4-6-18(12-16)20-10-9-15-7-8-17(19)11-14(15)3/h7-8,11,13,16,18,20H,4-6,9-10,12H2,1-3H3
InChIKeyFENXWJJPDYECPL-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.48
Rot. Bonds5

About N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine

N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448621) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448621
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCc1cc(F)ccc1CCNC1CCCC(C(C)C)C1
InChIInChI=1S/C18H28FN/c1-13(2)16-5-4-6-18(12-16)20-10-9-15-7-8-17(19)11-14(15)3/h7-8,11,13,16,18,20H,4-6,9-10,12H2,1-3H3
InChIKeyFENXWJJPDYECPL-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086258
N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091712
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 114347793
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348004
tert-butyl 3-[2-(4-fluoro-2-methylphenyl)ethylamino]piperidine-1-carboxylate
CID 113254137
1-cyclopentyl-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346848
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79762958
1-N-[2-(2-methylphenyl)ethyl]cyclohexane-1,3-diamine
CID 79763318
2-[2-(4-fluoro-2-methylphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978975
1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 114345620

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine (CID 107448621) is N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine is Cc1cc(F)ccc1CCNC1CCCC(C(C)C)C1.
What is the InChIKey of N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is FENXWJJPDYECPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-13(2)16-5-4-6-18(12-16)20-10-9-15-7-8-17(19)11-14(15)3/h7-8,11,13,16,18,20H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).