N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine

C17H26FN — CID 79055016

IUPACN-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCc1cc(F)cc(NC2CCCC(C(C)C)CC2)c1
InChIInChI=1S/C17H26FN/c1-12(2)14-5-4-6-16(8-7-14)19-17-10-13(3)9-15(18)11-17/h9-12,14,16,19H,4-8H2,1-3H3
InChIKeyUQJYWHHYQDWYGV-UHFFFAOYSA-N
MW263.40 g/mol
LogP5.15
Rot. Bonds3

About N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine

N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 79055016) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID79055016
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCc1cc(F)cc(NC2CCCC(C(C)C)CC2)c1
InChIInChI=1S/C17H26FN/c1-12(2)14-5-4-6-16(8-7-14)19-17-10-13(3)9-15(18)11-17/h9-12,14,16,19H,4-8H2,1-3H3
InChIKeyUQJYWHHYQDWYGV-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.40
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447829
3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447823
N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087459
4-N-(3-fluoro-5-methylphenyl)cyclohexane-1,4-diamine
CID 79740975
N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087825
N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine
CID 79055105
3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 79055270
4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107571665
N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline
CID 79054393
3-bromo-4-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 113451908
N-(4-propan-2-ylcycloheptyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 65087519
N-(2-chloro-5-fluorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107527132

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine (CID 79055016) is N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine is Cc1cc(F)cc(NC2CCCC(C(C)C)CC2)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is UQJYWHHYQDWYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-12(2)14-5-4-6-16(8-7-14)19-17-10-13(3)9-15(18)11-17/h9-12,14,16,19H,4-8H2,1-3H3.
What are the key properties of N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 79055016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).