1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine

C15H19F2NO — CID 114620704

IUPAC1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine
SMILESCC(N)Cc1cc(F)c(OC2C=CCCC2)c(F)c1
InChIInChI=1S/C15H19F2NO/c1-10(18)7-11-8-13(16)15(14(17)9-11)19-12-5-3-2-4-6-12/h3,5,8-10,12H,2,4,6-7,18H2,1H3
InChIKeyBROWEXLDDDJFFC-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.34
Rot. Bonds4

About 1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine

1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine (PubChem CID 114620704) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine
PubChem CID114620704
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine
SMILESCC(N)Cc1cc(F)c(OC2C=CCCC2)c(F)c1
InChIInChI=1S/C15H19F2NO/c1-10(18)7-11-8-13(16)15(14(17)9-11)19-12-5-3-2-4-6-12/h3,5,8-10,12H,2,4,6-7,18H2,1H3
InChIKeyBROWEXLDDDJFFC-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)butan-2-amine
CID 114620705
(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methanamine
CID 114619870
N-[(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methyl]propan-2-amine
CID 114619873
N-[(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methyl]propan-1-amine
CID 114619872
1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine
CID 114620716
4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine
CID 114619610
(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)methanamine
CID 114619906
1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine
CID 114620682
2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine
CID 114620711
N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63785833
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine
CID 114619765

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine (CID 114620704) is 1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine is CC(N)Cc1cc(F)c(OC2C=CCCC2)c(F)c1.
What is the InChIKey of 1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine?
The InChIKey is BROWEXLDDDJFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-10(18)7-11-8-13(16)15(14(17)9-11)19-12-5-3-2-4-6-12/h3,5,8-10,12H,2,4,6-7,18H2,1H3.
What are the key properties of 1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine?
1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine has a molecular weight of 267.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine is sourced from PubChem (CID 114620704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).