(E)-N,N-dimethyl-2-phenylbut-2-en-1-amine

C12H17N — CID 13167145

IUPAC(E)-N,N-dimethyl-2-phenylbut-2-en-1-amine
SMILESC/C=C(/CN(C)C)c1ccccc1
InChIInChI=1S/C12H17N/c1-4-11(10-13(2)3)12-8-6-5-7-9-12/h4-9H,10H2,1-3H3/b11-4-
InChIKeyDZDMYTVFGHUWIV-WCIBSUBMSA-N
MW175.27 g/mol
LogP2.65
Rot. Bonds3

About (E)-N,N-dimethyl-2-phenylbut-2-en-1-amine

(E)-N,N-dimethyl-2-phenylbut-2-en-1-amine (PubChem CID 13167145) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (E)-N,N-dimethyl-2-phenylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-2-phenylbut-2-en-1-amine
PubChem CID13167145
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(E)-N,N-dimethyl-2-phenylbut-2-en-1-amine
SMILESC/C=C(/CN(C)C)c1ccccc1
InChIInChI=1S/C12H17N/c1-4-11(10-13(2)3)12-8-6-5-7-9-12/h4-9H,10H2,1-3H3/b11-4-
InChIKeyDZDMYTVFGHUWIV-WCIBSUBMSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
benzoic acid;2-(dimethylamino)acetic acid;zinc
CID 158543723
N-[(E)-2,3-diphenylprop-2-enyl]-N-methylformamide
CID 101473048
4-phenylhex-4-enoic acid
CID 67746450
[(E)-hept-2-en-3-yl]benzene
CID 14568345
(Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6372024
(1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one
CID 159016802
(1E)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one
CID 159016803
copper;2-(dimethylamino)acetic acid;dibenzoate
CID 174914770
[2-(dimethylamino)acetyl] benzoate
CID 90707608
actinium;1-phenylprop-1-enylazanide
CID 157123546
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-2-phenylbut-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-2-phenylbut-2-en-1-amine (CID 13167145) is (E)-N,N-dimethyl-2-phenylbut-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-2-phenylbut-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-2-phenylbut-2-en-1-amine is C/C=C(/CN(C)C)c1ccccc1.
What is the InChIKey of (E)-N,N-dimethyl-2-phenylbut-2-en-1-amine?
The InChIKey is DZDMYTVFGHUWIV-WCIBSUBMSA-N. The full InChI is InChI=1S/C12H17N/c1-4-11(10-13(2)3)12-8-6-5-7-9-12/h4-9H,10H2,1-3H3/b11-4-.
What are the key properties of (E)-N,N-dimethyl-2-phenylbut-2-en-1-amine?
(E)-N,N-dimethyl-2-phenylbut-2-en-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-2-phenylbut-2-en-1-amine is sourced from PubChem (CID 13167145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).