2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine

C17H26FN — CID 63403748

IUPAC2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1Cc1cccc(F)c1
InChIInChI=1S/C17H26FN/c1-3-9-19-17-8-7-13(2)10-15(17)11-14-5-4-6-16(18)12-14/h4-6,12-13,15,17,19H,3,7-11H2,1-2H3
InChIKeyQUSAPZJKNOOAKJ-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.17
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine

2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 63403748) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
PubChem CID63403748
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1Cc1cccc(F)c1
InChIInChI=1S/C17H26FN/c1-3-9-19-17-8-7-13(2)10-15(17)11-14-5-4-6-16(18)12-14/h4-6,12-13,15,17,19H,3,7-11H2,1-2H3
InChIKeyQUSAPZJKNOOAKJ-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401112
2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 114346488
2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 105404538
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010735
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 55188048
2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63483230
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine
CID 105372334
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 79701432
3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64907274
2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403838
2-[(3-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401547
4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 63401443

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine (CID 63403748) is 2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is QUSAPZJKNOOAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-3-9-19-17-8-7-13(2)10-15(17)11-14-5-4-6-16(18)12-14/h4-6,12-13,15,17,19H,3,7-11H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63403748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).