2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine

C16H17ClFN — CID 107559807

IUPAC2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2ccccc2F)cc1Cl
InChIInChI=1S/C16H17ClFN/c1-11-7-8-13(9-14(11)17)16(2,19)10-12-5-3-4-6-15(12)18/h3-9H,10,19H2,1-2H3
InChIKeyGACZUHZBEQFYCT-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.20
Rot. Bonds3

About 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine

2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine (PubChem CID 107559807) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine
PubChem CID107559807
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2ccccc2F)cc1Cl
InChIInChI=1S/C16H17ClFN/c1-11-7-8-13(9-14(11)17)16(2,19)10-12-5-3-4-6-15(12)18/h3-9H,10,19H2,1-2H3
InChIKeyGACZUHZBEQFYCT-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 60799509
1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine
CID 102857098
1-(5-chloro-2-fluorophenyl)-2-phenylpropan-2-amine
CID 103047839
2-(2,3-dichlorophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 114833591
1-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 114832527
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine
CID 107559750
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
CID 104726385
1-(2,4-dichlorophenyl)-2-phenylpropan-2-amine
CID 62621984
(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-2-amine
CID 10657092
2-(3,4-difluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 114832741

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine (CID 107559807) is 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine is Cc1ccc(C(C)(N)Cc2ccccc2F)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is GACZUHZBEQFYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11-7-8-13(9-14(11)17)16(2,19)10-12-5-3-4-6-15(12)18/h3-9H,10,19H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine?
2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 277.77 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 107559807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).