N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine

C18H21F2N — CID 63502473

IUPACN-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1)c1cccc(F)c1F
InChIInChI=1S/C18H21F2N/c1-4-10-21-18(14-9-8-12(2)13(3)11-14)15-6-5-7-16(19)17(15)20/h5-9,11,18,21H,4,10H2,1-3H3
InChIKeyPJYQZBJDBHJIRQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.67
Rot. Bonds5

About N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine

N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine (PubChem CID 63502473) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
PubChem CID63502473
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1)c1cccc(F)c1F
InChIInChI=1S/C18H21F2N/c1-4-10-21-18(14-9-8-12(2)13(3)11-14)15-6-5-7-16(19)17(15)20/h5-9,11,18,21H,4,10H2,1-3H3
InChIKeyPJYQZBJDBHJIRQ-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 115861901
N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 63502673
N-[(3-chloro-4-methylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 107560858
N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861982
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(2-fluoro-3-methylphenyl)-phenylmethyl]propan-1-amine
CID 81477000
N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494021
N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63990259
N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 43498303
N-[(2,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413548

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine (CID 63502473) is N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(C)c1)c1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is PJYQZBJDBHJIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-10-21-18(14-9-8-12(2)13(3)11-14)15-6-5-7-16(19)17(15)20/h5-9,11,18,21H,4,10H2,1-3H3.
What are the key properties of N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine?
N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63502473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).