1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine

C15H21F2N — CID 113328756

IUPAC1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine
SMILESCCC(CC1CC1)NCc1cccc(C(F)F)c1
InChIInChI=1S/C15H21F2N/c1-2-14(9-11-6-7-11)18-10-12-4-3-5-13(8-12)15(16)17/h3-5,8,11,14-15,18H,2,6-7,9-10H2,1H3
InChIKeySSUUVJGFKXGROJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.29
Rot. Bonds7

About 1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine

1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine (PubChem CID 113328756) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine
PubChem CID113328756
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine
SMILESCCC(CC1CC1)NCc1cccc(C(F)F)c1
InChIInChI=1S/C15H21F2N/c1-2-14(9-11-6-7-11)18-10-12-4-3-5-13(8-12)15(16)17/h3-5,8,11,14-15,18H,2,6-7,9-10H2,1H3
InChIKeySSUUVJGFKXGROJ-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 3337
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CID 91452
Isopropylbenzylamine
CID 66024
N-Ethylbenzylamine
CID 84352
N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908
N-Propylbenzylamine
CID 74850
Levofenfluramine
CID 65801
Benzenemethanamine, N-methyl-4-(trifluoromethyl)-
CID 485420
N-Butylbenzylamine
CID 75467
N-Methyl-1-phenylethylamine
CID 577403

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine (CID 113328756) is 1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine is CCC(CC1CC1)NCc1cccc(C(F)F)c1.
What is the InChIKey of 1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine?
The InChIKey is SSUUVJGFKXGROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-2-14(9-11-6-7-11)18-10-12-4-3-5-13(8-12)15(16)17/h3-5,8,11,14-15,18H,2,6-7,9-10H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine?
1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine has a molecular weight of 253.34 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine is sourced from PubChem (CID 113328756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).