N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine

C18H28FN — CID 65423582

IUPACN-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine
SMILESCCCC1CCC(C(NCC)c2cccc(F)c2)CC1
InChIInChI=1S/C18H28FN/c1-3-6-14-9-11-15(12-10-14)18(20-4-2)16-7-5-8-17(19)13-16/h5,7-8,13-15,18,20H,3-4,6,9-12H2,1-2H3
InChIKeyUVFADOSGXFEHGW-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.08
Rot. Bonds6

About N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine

N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine (PubChem CID 65423582) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine
PubChem CID65423582
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine
SMILESCCCC1CCC(C(NCC)c2cccc(F)c2)CC1
InChIInChI=1S/C18H28FN/c1-3-6-14-9-11-15(12-10-14)18(20-4-2)16-7-5-8-17(19)13-16/h5,7-8,13-15,18,20H,3-4,6,9-12H2,1-2H3
InChIKeyUVFADOSGXFEHGW-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

[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232271
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793
N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine
CID 107560350
N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 64774201
1-(3-ethylcyclopentyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 65411018
(4-butylcyclohexyl)-(3-fluorophenyl)methanol
CID 114978561
[(3-ethylphenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232166
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 66425051
1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424185
N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65412962

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine (CID 65423582) is N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine is CCCC1CCC(C(NCC)c2cccc(F)c2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine?
The InChIKey is UVFADOSGXFEHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-3-6-14-9-11-15(12-10-14)18(20-4-2)16-7-5-8-17(19)13-16/h5,7-8,13-15,18,20H,3-4,6,9-12H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine?
N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine 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-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 65423582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).