3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine

C16H17F2N — CID 82929801

IUPAC3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(CN)Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H17F2N/c1-11-2-5-13(6-3-11)14(10-19)8-12-4-7-15(17)16(18)9-12/h2-7,9,14H,8,10,19H2,1H3
InChIKeySEKZODQVEQLGQW-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.56
Rot. Bonds4

About 3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine

3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine (PubChem CID 82929801) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
PubChem CID82929801
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC Name3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(CN)Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H17F2N/c1-11-2-5-13(6-3-11)14(10-19)8-12-4-7-15(17)16(18)9-12/h2-7,9,14H,8,10,19H2,1H3
InChIKeySEKZODQVEQLGQW-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 82930179
2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 82930150
3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973688
2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442413
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79441426
3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
4-[1-bromo-2-(4-methylphenyl)ethyl]-1,2-difluorobenzene
CID 55218629
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine
CID 114013903
2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 83975158
2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 82160286

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine (CID 82929801) is 3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine is Cc1ccc(C(CN)Cc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine?
The InChIKey is SEKZODQVEQLGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-2-5-13(6-3-11)14(10-19)8-12-4-7-15(17)16(18)9-12/h2-7,9,14H,8,10,19H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine?
3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 82929801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).