1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine

C16H23ClFN — CID 103052907

IUPAC1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine
SMILESNC(CCC1CCCCC1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H23ClFN/c17-14-7-9-16(18)13(10-14)11-15(19)8-6-12-4-2-1-3-5-12/h7,9-10,12,15H,1-6,8,11,19H2
InChIKeyOSKDLEGQNFXNJI-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.71
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine

1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine (PubChem CID 103052907) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine
PubChem CID103052907
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine
SMILESNC(CCC1CCCCC1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H23ClFN/c17-14-7-9-16(18)13(10-14)11-15(19)8-6-12-4-2-1-3-5-12/h7,9-10,12,15H,1-6,8,11,19H2
InChIKeyOSKDLEGQNFXNJI-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
CID 61080006
1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
CID 63527017
1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine
CID 114192287
1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine
CID 115818846
4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine
CID 105045741
1-chloro-3-[(5-chloro-2-fluorophenyl)methyl]cycloheptane
CID 103050549
1-(5-chloro-2-fluorophenyl)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103148864
1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105022589
1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine
CID 114843607
[1-(5-chloro-2-fluorophenyl)-3-cyclopropylpropyl]hydrazine
CID 105280162
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine (CID 103052907) is 1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine is NC(CCC1CCCCC1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine?
The InChIKey is OSKDLEGQNFXNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c17-14-7-9-16(18)13(10-14)11-15(19)8-6-12-4-2-1-3-5-12/h7,9-10,12,15H,1-6,8,11,19H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine?
1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine has a molecular weight of 283.82 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine is sourced from PubChem (CID 103052907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).