1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine

C16H23ClFN — CID 103042970

IUPAC1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine
SMILESNC(Cc1ccc(F)c(Cl)c1)CC1CCCCCC1
InChIInChI=1S/C16H23ClFN/c17-15-11-13(7-8-16(15)18)10-14(19)9-12-5-3-1-2-4-6-12/h7-8,11-12,14H,1-6,9-10,19H2
InChIKeyXQOLJWCSDCUJBG-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.71
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine

1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine (PubChem CID 103042970) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine
PubChem CID103042970
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine
SMILESNC(Cc1ccc(F)c(Cl)c1)CC1CCCCCC1
InChIInChI=1S/C16H23ClFN/c17-15-11-13(7-8-16(15)18)10-14(19)9-12-5-3-1-2-4-6-12/h7-8,11-12,14H,1-6,9-10,19H2
InChIKeyXQOLJWCSDCUJBG-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine
CID 102622536
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol
CID 103043661
1-cyclopentyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 115865018
1-(3,4-difluorophenyl)-3-(thian-4-yl)propan-2-amine
CID 105175997
1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168395
[3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine
CID 103044125
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
1-(3-chloro-4-fluorophenyl)pentan-2-amine
CID 103039784
1-(3-bromophenyl)-3-cycloheptylpropan-2-amine
CID 114458146
2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
CID 114012687
2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 103039934

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine (CID 103042970) is 1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine is NC(Cc1ccc(F)c(Cl)c1)CC1CCCCCC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine?
The InChIKey is XQOLJWCSDCUJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c17-15-11-13(7-8-16(15)18)10-14(19)9-12-5-3-1-2-4-6-12/h7-8,11-12,14H,1-6,9-10,19H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine?
1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine has a molecular weight of 283.82 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine is sourced from PubChem (CID 103042970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).