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

C17H26FN — CID 65086228

IUPAC1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCc1cc(C2(N)CCCC(C(C)C)CC2)ccc1F
InChIInChI=1S/C17H26FN/c1-12(2)14-5-4-9-17(19,10-8-14)15-6-7-16(18)13(3)11-15/h6-7,11-12,14H,4-5,8-10,19H2,1-3H3
InChIKeyLCRMVHGFDJDUCN-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.52
Rot. Bonds2

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

1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65086228) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID65086228
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCc1cc(C2(N)CCCC(C(C)C)CC2)ccc1F
InChIInChI=1S/C17H26FN/c1-12(2)14-5-4-9-17(19,10-8-14)15-6-7-16(18)13(3)11-15/h6-7,11-12,14H,4-5,8-10,19H2,1-3H3
InChIKeyLCRMVHGFDJDUCN-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
1-(2,6-difluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 82819791
1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine
CID 107288007
4-propan-2-yl-1-pyrimidin-5-ylcycloheptan-1-amine
CID 65086424
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine
CID 107450086
4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 55186583
1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 63411290
1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine
CID 107128227
4-propan-2-yl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 63411885
1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine
CID 65099403
1-(2,6-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 116809940

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine (CID 65086228) is 1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine is Cc1cc(C2(N)CCCC(C(C)C)CC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is LCRMVHGFDJDUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-12(2)14-5-4-9-17(19,10-8-14)15-6-7-16(18)13(3)11-15/h6-7,11-12,14H,4-5,8-10,19H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine?
1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65086228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).