2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine

C16H23F2N — CID 83159508

IUPAC2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(Cc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C16H23F2N/c1-3-8-19-11-16(2,13-4-5-13)10-12-9-14(17)6-7-15(12)18/h6-7,9,13,19H,3-5,8,10-11H2,1-2H3
InChIKeyFUYPUOWEHOANMN-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.92
Rot. Bonds7

About 2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine

2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 83159508) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID83159508
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(Cc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C16H23F2N/c1-3-8-19-11-16(2,13-4-5-13)10-12-9-14(17)6-7-15(12)18/h6-7,9,13,19H,3-5,8,10-11H2,1-2H3
InChIKeyFUYPUOWEHOANMN-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
4-(2,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 65308385
2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 83147897
3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83148242
4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol
CID 83159515
3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83148247
2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159546
N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62717985
2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine
CID 83183414
1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 105375922
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene
CID 83150796
2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83160271

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine (CID 83159508) is 2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)(Cc1cc(F)ccc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is FUYPUOWEHOANMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-3-8-19-11-16(2,13-4-5-13)10-12-9-14(17)6-7-15(12)18/h6-7,9,13,19H,3-5,8,10-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine?
2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 83159508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).