4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine

C16H23NO — CID 114619610

IUPAC4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine
SMILESCC(N)CCc1ccc(OC2C=CCCC2)cc1
InChIInChI=1S/C16H23NO/c1-13(17)7-8-14-9-11-16(12-10-14)18-15-5-3-2-4-6-15/h3,5,9-13,15H,2,4,6-8,17H2,1H3
InChIKeyBNPLYRTZFKOVOE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.45
Rot. Bonds5

About 4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine

4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine (PubChem CID 114619610) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine
PubChem CID114619610
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine
SMILESCC(N)CCc1ccc(OC2C=CCCC2)cc1
InChIInChI=1S/C16H23NO/c1-13(17)7-8-14-9-11-16(12-10-14)18-15-5-3-2-4-6-15/h3,5,9-13,15H,2,4,6-8,17H2,1H3
InChIKeyBNPLYRTZFKOVOE-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.45
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

4-(4-cyclopentyloxyphenyl)butan-2-amine
CID 16782847
4-cyclohex-2-en-1-yloxyaniline
CID 112693108
1-chloro-4-cyclohex-2-en-1-yloxybenzene
CID 15190705
1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine
CID 114620682
4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol
CID 67807487
4-cyclohex-2-en-1-yloxybenzaldehyde
CID 19069252
1-cyclohex-2-en-1-yloxy-4-[(2Z,4Z)-4-(4-cyclohex-2-en-1-yloxyphenyl)hexa-2,4-dien-3-yl]benzene
CID 5357270
4-(3-cyclopropyloxyphenyl)butan-2-amine
CID 114522923
(1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine
CID 104940189
1-cyclohex-2-en-1-yloxy-4-ethenylbenzene
CID 56975976
4-[(1S)-cyclohex-2-en-1-yl]oxybenzoate
CID 7343247
4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine
CID 43279731

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine?
The IUPAC name of 4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine (CID 114619610) is 4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine.
What is the SMILES notation for 4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine?
The canonical SMILES for 4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine is CC(N)CCc1ccc(OC2C=CCCC2)cc1.
What is the InChIKey of 4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine?
The InChIKey is BNPLYRTZFKOVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(17)7-8-14-9-11-16(12-10-14)18-15-5-3-2-4-6-15/h3,5,9-13,15H,2,4,6-8,17H2,1H3.
What are the key properties of 4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine?
4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine is sourced from PubChem (CID 114619610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).