1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

C15H21F2N — CID 114078586

IUPAC1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCC(C)C1(CNCc2ccc(C(F)F)cc2)CC1
InChIInChI=1S/C15H21F2N/c1-11(2)15(7-8-15)10-18-9-12-3-5-13(6-4-12)14(16)17/h3-6,11,14,18H,7-10H2,1-2H3
InChIKeyFKPSCZAFUPMIOK-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.15
Rot. Bonds6

About 1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (PubChem CID 114078586) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
PubChem CID114078586
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCC(C)C1(CNCc2ccc(C(F)F)cc2)CC1
InChIInChI=1S/C15H21F2N/c1-11(2)15(7-8-15)10-18-9-12-3-5-13(6-4-12)14(16)17/h3-6,11,14,18H,7-10H2,1-2H3
InChIKeyFKPSCZAFUPMIOK-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415633
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 104756480
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide
CID 103743332
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile
CID 103743400
N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 115523365
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 115245756
N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 115523961
1-(5-ethylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 115697602
methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate
CID 103923509
1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 115684793

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (CID 114078586) is 1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is CC(C)C1(CNCc2ccc(C(F)F)cc2)CC1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The InChIKey is FKPSCZAFUPMIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-11(2)15(7-8-15)10-18-9-12-3-5-13(6-4-12)14(16)17/h3-6,11,14,18H,7-10H2,1-2H3.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 114078586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).