1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine

C15H21ClFN — CID 102622536

IUPAC1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine
SMILESNC(Cc1cc(F)ccc1Cl)CC1CCCCC1
InChIInChI=1S/C15H21ClFN/c16-15-7-6-13(17)9-12(15)10-14(18)8-11-4-2-1-3-5-11/h6-7,9,11,14H,1-5,8,10,18H2
InChIKeyFYZXJRXAWUCRJA-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.32
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine

1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine (PubChem CID 102622536) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine
PubChem CID102622536
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine
SMILESNC(Cc1cc(F)ccc1Cl)CC1CCCCC1
InChIInChI=1S/C15H21ClFN/c16-15-7-6-13(17)9-12(15)10-14(18)8-11-4-2-1-3-5-11/h6-7,9,11,14H,1-5,8,10,18H2
InChIKeyFYZXJRXAWUCRJA-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine
CID 102622980
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105377006
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine
CID 103042970
1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine
CID 82806050
3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine
CID 102616772
1-(2,5-dichlorophenyl)-3-(thian-4-yl)propan-2-amine
CID 105151400
2-(2-chloro-5-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 102618995
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 102618765
[1-(2-chloro-5-fluorophenyl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 102623436
1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618839

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine (CID 102622536) is 1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine is NC(Cc1cc(F)ccc1Cl)CC1CCCCC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine?
The InChIKey is FYZXJRXAWUCRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c16-15-7-6-13(17)9-12(15)10-14(18)8-11-4-2-1-3-5-11/h6-7,9,11,14H,1-5,8,10,18H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine?
1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine has a molecular weight of 269.79 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine is sourced from PubChem (CID 102622536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).