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

C16H17ClFN — CID 115504916

IUPACN-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-11(2)19-10-12-3-5-13(6-4-12)15-8-7-14(18)9-16(15)17/h3-9,11,19H,10H2,1-2H3
InChIKeyOUCHNWBTYTWZFQ-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.64
Rot. Bonds4

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

N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine (PubChem CID 115504916) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine
PubChem CID115504916
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-11(2)19-10-12-3-5-13(6-4-12)15-8-7-14(18)9-16(15)17/h3-9,11,19H,10H2,1-2H3
InChIKeyOUCHNWBTYTWZFQ-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(2,4-dichlorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428074
N-[[4-(2-chloro-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 63552019
N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine
CID 105395728
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 115503150
N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine
CID 63424500
N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 62944754
N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911501
N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732388
1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 82782480
N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61026035
N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66480830

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine (CID 115504916) is N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine?
The InChIKey is OUCHNWBTYTWZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11(2)19-10-12-3-5-13(6-4-12)15-8-7-14(18)9-16(15)17/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine?
N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine has a molecular weight of 277.77 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 115504916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).