(E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine

C13H19N — CID 82281241

IUPAC(E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine
SMILESCCC(C)c1ccc(/C=C/CN)cc1
InChIInChI=1S/C13H19N/c1-3-11(2)13-8-6-12(7-9-13)5-4-10-14/h4-9,11H,3,10,14H2,1-2H3/b5-4+
InChIKeyXTRVPHLAIHEWTH-SNAWJCMRSA-N
MW189.30 g/mol
LogP3.17
Rot. Bonds4

About (E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine

(E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine (PubChem CID 82281241) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine
PubChem CID82281241
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine
SMILESCCC(C)c1ccc(/C=C/CN)cc1
InChIInChI=1S/C13H19N/c1-3-11(2)13-8-6-12(7-9-13)5-4-10-14/h4-9,11H,3,10,14H2,1-2H3/b5-4+
InChIKeyXTRVPHLAIHEWTH-SNAWJCMRSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline
CID 59722331
(E)-3-(3-bromo-4-butan-2-ylphenyl)prop-2-en-1-amine
CID 117423820
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
(2E,4E)-5-(4-butan-2-ylphenyl)penta-2,4-dienoic acid
CID 116865789
4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline
CID 171836943
(E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 39238179
3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine
CID 169464663
(Z)-3-(4-bromophenyl)prop-2-en-1-amine
CID 124584834
(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
CID 58952108
N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline
CID 89097686
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
(E)-3-(3-chloro-4-pentan-3-ylphenyl)prop-2-en-1-amine
CID 117348289

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine (CID 82281241) is (E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine is CCC(C)c1ccc(/C=C/CN)cc1.
What is the InChIKey of (E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine?
The InChIKey is XTRVPHLAIHEWTH-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H19N/c1-3-11(2)13-8-6-12(7-9-13)5-4-10-14/h4-9,11H,3,10,14H2,1-2H3/b5-4+.
What are the key properties of (E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine?
(E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 82281241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).