N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine

C16H17F2N — CID 43494885

IUPACN-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2N/c1-2-10-19-16(12-6-4-3-5-7-12)13-8-9-14(17)15(18)11-13/h3-9,11,16,19H,2,10H2,1H3
InChIKeySGHKWMVGCSSGAN-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.05
Rot. Bonds5

About N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine

N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine (PubChem CID 43494885) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
PubChem CID43494885
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2N/c1-2-10-19-16(12-6-4-3-5-7-12)13-8-9-14(17)15(18)11-13/h3-9,11,16,19H,2,10H2,1H3
InChIKeySGHKWMVGCSSGAN-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496452
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
CID 43494881
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197
N-[(3-fluoro-4-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494693
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
N-[(4-ethylphenyl)-phenylmethyl]propan-1-amine
CID 43494878
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
[(S)-(3,4-difluorophenyl)-phenylmethyl]hydrazine
CID 124596469

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine (CID 43494885) is N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine is CCCNC(c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine?
The InChIKey is SGHKWMVGCSSGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-2-10-19-16(12-6-4-3-5-7-12)13-8-9-14(17)15(18)11-13/h3-9,11,16,19H,2,10H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine?
N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine has a molecular weight of 261.31 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine is sourced from PubChem (CID 43494885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).