N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine

C13H17ClFN — CID 81145628

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFN/c1-9(6-10-2-3-10)16-8-11-4-5-13(15)12(14)7-11/h4-5,7,9-10,16H,2-3,6,8H2,1H3
InChIKeyNRBNVAKGFIXPDX-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.76
Rot. Bonds5

About N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine

N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine (PubChem CID 81145628) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
PubChem CID81145628
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFN/c1-9(6-10-2-3-10)16-8-11-4-5-13(15)12(14)7-11/h4-5,7,9-10,16H,2-3,6,8H2,1H3
InChIKeyNRBNVAKGFIXPDX-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine
CID 106816843
1-cyclobutyl-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 115712467
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 115762374
4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol
CID 115722404
N-[(3-chloro-4-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 63478376
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 62539575
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pentan-2-amine
CID 103041364
N-[(3-chloro-4-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63476474
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethylheptan-4-amine
CID 63478552
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 63987847
(2S)-2-[(3-chloro-4-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 81145636
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylpentan-2-amine
CID 62538419

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine (CID 81145628) is N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine is CC(CC1CC1)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine?
The InChIKey is NRBNVAKGFIXPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9(6-10-2-3-10)16-8-11-4-5-13(15)12(14)7-11/h4-5,7,9-10,16H,2-3,6,8H2,1H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine has a molecular weight of 241.74 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine is sourced from PubChem (CID 81145628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).