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

C17H19ClFN — CID 102858628

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CC(CN)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C17H19ClFN/c1-12-5-7-13(8-6-12)9-14(11-20)10-15-3-2-4-16(18)17(15)19/h2-8,14H,9-11,20H2,1H3
InChIKeyTWZVUPFNPQQQME-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.15
Rot. Bonds5

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

2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine (PubChem CID 102858628) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
PubChem CID102858628
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CC(CN)Cc2cccc(Cl)c2F)cc1
InChIInChI=1S/C17H19ClFN/c1-12-5-7-13(8-6-12)9-14(11-20)10-15-3-2-4-16(18)17(15)19/h2-8,14H,9-11,20H2,1H3
InChIKeyTWZVUPFNPQQQME-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 102858638
1-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 82803292
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63496346
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
2-benzyl-3-(2,3-difluorophenyl)propan-1-amine
CID 55083934
2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845
2-[(4-bromophenyl)methyl]-3-(3-chloro-2-fluorophenyl)propan-1-ol
CID 102863663
2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496149

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine (CID 102858628) is 2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine is Cc1ccc(CC(CN)Cc2cccc(Cl)c2F)cc1.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
The InChIKey is TWZVUPFNPQQQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-12-5-7-13(8-6-12)9-14(11-20)10-15-3-2-4-16(18)17(15)19/h2-8,14H,9-11,20H2,1H3.
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 102858628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).