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

C17H19F2NO — CID 43496515

IUPACN-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)c1ccccc1OC
InChIInChI=1S/C17H19F2NO/c1-3-10-20-17(12-8-9-14(18)15(19)11-12)13-6-4-5-7-16(13)21-2/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyTUDNDTWKAMUTIX-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.06
Rot. Bonds6

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

N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine (PubChem CID 43496515) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
PubChem CID43496515
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)c1ccccc1OC
InChIInChI=1S/C17H19F2NO/c1-3-10-20-17(12-8-9-14(18)15(19)11-12)13-6-4-5-7-16(13)21-2/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyTUDNDTWKAMUTIX-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 79722130
N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 43498303
N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 62790493
N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792566
N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
CID 43494885
N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 79699083
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
N-[(3-methoxy-4-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794735
N-[(3-chloro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792668
N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 105394631
N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 62501795
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine (CID 43496515) is N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(F)c1)c1ccccc1OC.
What is the InChIKey of N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is TUDNDTWKAMUTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-10-20-17(12-8-9-14(18)15(19)11-12)13-6-4-5-7-16(13)21-2/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 291.34 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43496515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).