1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine

C15H19F2N — CID 105406982

IUPAC1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine
SMILESNC(CC1=CCCCC1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H19F2N/c16-13-6-12(7-14(17)10-13)9-15(18)8-11-4-2-1-3-5-11/h4,6-7,10,15H,1-3,5,8-9,18H2
InChIKeyAHDQUYFPNOKESZ-UHFFFAOYSA-N
MW251.32 g/mol
LogP3.73
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine

1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine (PubChem CID 105406982) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine
PubChem CID105406982
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC Name1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine
SMILESNC(CC1=CCCCC1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H19F2N/c16-13-6-12(7-14(17)10-13)9-15(18)8-11-4-2-1-3-5-11/h4,6-7,10,15H,1-3,5,8-9,18H2
InChIKeyAHDQUYFPNOKESZ-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine
CID 116661188
1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661135
1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 116661199
1-(3-bromo-4-methoxyphenyl)-3-(cyclohexen-1-yl)propan-2-amine
CID 116661239
2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine
CID 116661300
[1-[(1E)-cycloocten-1-yl]-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 106648712
[1-(cyclohepten-1-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 106648713
1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine
CID 116661214
1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
1-(cyclohexen-1-yl)-5-methoxypentan-2-amine
CID 114857019
(2S)-4-chloro-1-(3,5-difluorophenyl)butan-2-amine
CID 89258105

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine (CID 105406982) is 1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine is NC(CC1=CCCCC1)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine?
The InChIKey is AHDQUYFPNOKESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N/c16-13-6-12(7-14(17)10-13)9-15(18)8-11-4-2-1-3-5-11/h4,6-7,10,15H,1-3,5,8-9,18H2.
What are the key properties of 1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine?
1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine has a molecular weight of 251.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine is sourced from PubChem (CID 105406982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).