2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine

C15H21F2N — CID 83147897

IUPAC2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(Cc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C15H21F2N/c1-3-18-10-15(2,12-5-6-12)9-11-4-7-13(16)14(17)8-11/h4,7-8,12,18H,3,5-6,9-10H2,1-2H3
InChIKeyXYZKCVVYQCPZIK-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.53
Rot. Bonds6

About 2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine

2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 83147897) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine
PubChem CID83147897
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(Cc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C15H21F2N/c1-3-18-10-15(2,12-5-6-12)9-11-4-7-13(16)14(17)8-11/h4,7-8,12,18H,3,5-6,9-10H2,1-2H3
InChIKeyXYZKCVVYQCPZIK-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83148247
N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 103041178
2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 83159508
4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol
CID 83159515
2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol
CID 114276080
3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159897
1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene
CID 107893302
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159546
3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83149504
3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83149125

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine (CID 83147897) is 2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine is CCNCC(C)(Cc1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is XYZKCVVYQCPZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-3-18-10-15(2,12-5-6-12)9-11-4-7-13(16)14(17)8-11/h4,7-8,12,18H,3,5-6,9-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine?
2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 83147897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).