N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine

C17H19ClFN — CID 115504145

IUPACN-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine
SMILESCc1ccc(-c2ccc(CNC(C)C)c(F)c2)cc1Cl
InChIInChI=1S/C17H19ClFN/c1-11(2)20-10-15-7-6-14(9-17(15)19)13-5-4-12(3)16(18)8-13/h4-9,11,20H,10H2,1-3H3
InChIKeyCHMSPZMNSVTVTH-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.95
Rot. Bonds4

About N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine

N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine (PubChem CID 115504145) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine
PubChem CID115504145
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine
SMILESCc1ccc(-c2ccc(CNC(C)C)c(F)c2)cc1Cl
InChIInChI=1S/C17H19ClFN/c1-11(2)20-10-15-7-6-14(9-17(15)19)13-5-4-12(3)16(18)8-13/h4-9,11,20H,10H2,1-3H3
InChIKeyCHMSPZMNSVTVTH-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 115504105
N-[[4-chloro-2-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502483
N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine
CID 61077044
N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106879353
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502487
N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 66097006
N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 66007664
N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine
CID 104738829
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841284
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine
CID 63424453

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine (CID 115504145) is N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine is Cc1ccc(-c2ccc(CNC(C)C)c(F)c2)cc1Cl.
What is the InChIKey of N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine?
The InChIKey is CHMSPZMNSVTVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-11(2)20-10-15-7-6-14(9-17(15)19)13-5-4-12(3)16(18)8-13/h4-9,11,20H,10H2,1-3H3.
What are the key properties of N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine?
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine has a molecular weight of 291.80 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 115504145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).