N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine

C13H19F2N — CID 78821646

IUPACN-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2N/c1-3-7-16(8-4-2)10-11-5-6-12(14)13(15)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyZCUMAQUZXLSNLE-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.59
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine

N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine (PubChem CID 78821646) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
PubChem CID78821646
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2N/c1-3-7-16(8-4-2)10-11-5-6-12(14)13(15)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyZCUMAQUZXLSNLE-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[(3,4-difluorophenyl)methyl-propylamino]methyl]aniline
CID 82917982
N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine
CID 78820869
2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine
CID 82925317
N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 141138330
2-[(3-fluoro-4-methylphenyl)methyl-propylamino]acetic acid
CID 65064590
N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine
CID 61350683
5-[[ethyl(propyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 114012052
2-[carboxymethyl-[(3,4-difluorophenyl)methyl]amino]acetic acid
CID 65065447
N-(2-bromoethyl)-N-[(4-chlorophenyl)methyl]propan-1-amine
CID 80680270
N,N-dichloro-1-(3,4-difluorophenyl)methanamine
CID 102529861
1,2-difluoro-4-propylbenzene;methane
CID 160697343
N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 78815768

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine (CID 78821646) is N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine?
The InChIKey is ZCUMAQUZXLSNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-7-16(8-4-2)10-11-5-6-12(14)13(15)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine?
N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 78821646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).