2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine

C14H17N — CID 141124285

IUPAC2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine
SMILESNCCC1(c2ccccc2)C=CC=CC1
InChIInChI=1S/C14H17N/c15-12-11-14(9-5-2-6-10-14)13-7-3-1-4-8-13/h1-9H,10-12,15H2
InChIKeyBJVVIWHCZCAPKQ-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.79
Rot. Bonds3

About 2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine

2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine (PubChem CID 141124285) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine
PubChem CID141124285
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine
SMILESNCCC1(c2ccccc2)C=CC=CC1
InChIInChI=1S/C14H17N/c15-12-11-14(9-5-2-6-10-14)13-7-3-1-4-8-13/h1-9H,10-12,15H2
InChIKeyBJVVIWHCZCAPKQ-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine
CID 174888236
[(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 66735510
[1-(2-butoxyethyl)cyclohexa-2,4-dien-1-yl]benzene
CID 139694160
(1S)-1-phenylcyclohexa-2,4-dien-1-amine
CID 97049769
2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine
CID 23459455
[(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 141234682
1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene
CID 151274526
(1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)methanol
CID 175313272
[(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 141234694
difluoromethanamine;(1-fluorocyclohexa-2,4-dien-1-yl)benzene
CID 158788538
1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene
CID 150971414
[1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane
CID 67855061

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine?
The IUPAC name of 2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine (CID 141124285) is 2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for 2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine?
The canonical SMILES for 2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine is NCCC1(c2ccccc2)C=CC=CC1.
What is the InChIKey of 2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine?
The InChIKey is BJVVIWHCZCAPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c15-12-11-14(9-5-2-6-10-14)13-7-3-1-4-8-13/h1-9H,10-12,15H2.
What are the key properties of 2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine?
2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine has a molecular weight of 199.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 141124285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).