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

C18H28FN — CID 63861829

IUPACN-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)C1CCCCC1CC
InChIInChI=1S/C18H28FN/c1-3-12-20-18(15-9-7-10-16(19)13-15)17-11-6-5-8-14(17)4-2/h7,9-10,13-14,17-18,20H,3-6,8,11-12H2,1-2H3
InChIKeyYULHVBUMLHHSPU-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.08
Rot. Bonds6

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

N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine (PubChem CID 63861829) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine
PubChem CID63861829
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)C1CCCCC1CC
InChIInChI=1S/C18H28FN/c1-3-12-20-18(15-9-7-10-16(19)13-15)17-11-6-5-8-14(17)4-2/h7,9-10,13-14,17-18,20H,3-6,8,11-12H2,1-2H3
InChIKeyYULHVBUMLHHSPU-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine
CID 115791823
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901
N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 79515623
N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 115862665
N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115791948
N-[(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105151322
3-[ethylamino-(2-ethylcyclohexyl)methyl]-N,N-dimethylaniline
CID 105151275
N-[(2-ethylcyclohexyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63861308
N-[(3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622794
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364942
N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 106692125
N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 63863279

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine (CID 63861829) is N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)C1CCCCC1CC.
What is the InChIKey of N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine?
The InChIKey is YULHVBUMLHHSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-3-12-20-18(15-9-7-10-16(19)13-15)17-11-6-5-8-14(17)4-2/h7,9-10,13-14,17-18,20H,3-6,8,11-12H2,1-2H3.
What are the key properties of N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine?
N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 63861829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).