N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine

C18H19F2N — CID 43724263

IUPACN-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
SMILESCC(NC(c1ccccc1)C1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2N/c1-12(15-9-10-16(19)17(20)11-15)21-18(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,18,21H,7-8H2,1H3
InChIKeyFLOHFAVABSWDSO-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.77
Rot. Bonds5

About N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine

N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine (PubChem CID 43724263) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
PubChem CID43724263
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
SMILESCC(NC(c1ccccc1)C1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2N/c1-12(15-9-10-16(19)17(20)11-15)21-18(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,18,21H,7-8H2,1H3
InChIKeyFLOHFAVABSWDSO-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369428
(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81382422
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917
4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol
CID 107714853
1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 64919026
N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43724281
(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406216
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588
N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine
CID 62091573

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine (CID 43724263) is N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine is CC(NC(c1ccccc1)C1CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine?
The InChIKey is FLOHFAVABSWDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-12(15-9-10-16(19)17(20)11-15)21-18(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,18,21H,7-8H2,1H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine?
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine has a molecular weight of 287.35 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine is sourced from PubChem (CID 43724263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).