N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine

C17H26FN — CID 65091174

IUPACN-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(Nc2cccc(F)c2C)CC1
InChIInChI=1S/C17H26FN/c1-3-6-14-7-4-8-15(12-11-14)19-17-10-5-9-16(18)13(17)2/h5,9-10,14-15,19H,3-4,6-8,11-12H2,1-2H3
InChIKeyPNXGXFBDYFNSON-UHFFFAOYSA-N
MW263.40 g/mol
LogP5.30
Rot. Bonds4

About N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine

N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine (PubChem CID 65091174) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine
PubChem CID65091174
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(Nc2cccc(F)c2C)CC1
InChIInChI=1S/C17H26FN/c1-3-6-14-7-4-8-15(12-11-14)19-17-10-5-9-16(18)13(17)2/h5,9-10,14-15,19H,3-4,6-8,11-12H2,1-2H3
InChIKeyPNXGXFBDYFNSON-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.40
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline
CID 63455039
N-(3-chloro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65087052
N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine
CID 65086344
4-tert-butyl-N-(3-fluoro-2-methylphenyl)cycloheptan-1-amine
CID 65089978
2-methyl-3-[(4-propylcycloheptyl)amino]benzoic acid
CID 65086676
N-(2-methyl-3-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086869
3-fluoro-4-methyl-5-[(4-propylcycloheptyl)amino]benzonitrile
CID 65086872
N-(2-methylsulfonylphenyl)-4-propylcycloheptan-1-amine
CID 65086579
1-N-(3-fluoro-2-methylphenyl)cyclohexane-1,3-diamine
CID 79458310
3-chloro-2-N,2-N-dimethyl-1-N-(4-propylcycloheptyl)benzene-1,2-diamine
CID 65086873
N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65073245
2-fluoro-6-[(4-propylcyclohexyl)amino]benzenecarbothioamide
CID 79513531

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine (CID 65091174) is N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(Nc2cccc(F)c2C)CC1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine?
The InChIKey is PNXGXFBDYFNSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-3-6-14-7-4-8-15(12-11-14)19-17-10-5-9-16(18)13(17)2/h5,9-10,14-15,19H,3-4,6-8,11-12H2,1-2H3.
What are the key properties of N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine?
N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65091174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).