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

C14H19F2N — CID 78820869

IUPACN-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine
SMILESCCCN(Cc1ccc(F)c(F)c1)CC1CC1
InChIInChI=1S/C14H19F2N/c1-2-7-17(9-11-3-4-11)10-12-5-6-13(15)14(16)8-12/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyZUVCKBZBMDCZJU-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.59
Rot. Bonds6

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

N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine (PubChem CID 78820869) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine
PubChem CID78820869
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine
SMILESCCCN(Cc1ccc(F)c(F)c1)CC1CC1
InChIInChI=1S/C14H19F2N/c1-2-7-17(9-11-3-4-11)10-12-5-6-13(15)14(16)8-12/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyZUVCKBZBMDCZJU-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
CID 78821646
N-[[3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454527
4-[[(3,4-difluorophenyl)methyl-propylamino]methyl]aniline
CID 82917982
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025
N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103438328
4-chloro-2-[[cyclopropylmethyl(propyl)amino]methyl]aniline
CID 79582315
methyl 4-[[cyclopropylmethyl(ethyl)amino]methyl]-2-fluorobenzoate
CID 103749438
3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458515
5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-fluorobenzonitrile
CID 114012369
N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715336
N-(cyclopropylmethyl)-N-[(2-hydrazinyl-4-pyridinyl)methyl]propan-1-amine
CID 62472414
4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide
CID 63583220

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine (CID 78820869) is N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine is CCCN(Cc1ccc(F)c(F)c1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine?
The InChIKey is ZUVCKBZBMDCZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-2-7-17(9-11-3-4-11)10-12-5-6-13(15)14(16)8-12/h5-6,8,11H,2-4,7,9-10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine?
N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine has a molecular weight of 239.31 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-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 78820869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).