(Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine

C13H19N — CID 142246468

IUPAC(Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine
SMILESCC/C(=C/NC)c1cccc(CC)c1
InChIInChI=1S/C13H19N/c1-4-11-7-6-8-13(9-11)12(5-2)10-14-3/h6-10,14H,4-5H2,1-3H3/b12-10-
InChIKeyIEARKTWHWOAFMD-BENRWUELSA-N
MW189.30 g/mol
LogP3.22
Rot. Bonds4

About (Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine

(Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine (PubChem CID 142246468) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine
PubChem CID142246468
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine
SMILESCC/C(=C/NC)c1cccc(CC)c1
InChIInChI=1S/C13H19N/c1-4-11-7-6-8-13(9-11)12(5-2)10-14-3/h6-10,14H,4-5H2,1-3H3/b12-10-
InChIKeyIEARKTWHWOAFMD-BENRWUELSA-N
XLogP3.22
TPSA12.03 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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-N-methylbenzamide
CID 59115297
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
3-ethylbenzoic acid;propane
CID 177324794
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene
CID 145300557
(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine
CID 22968888
N-amino-3-ethyl-N'-methylbenzenecarboximidamide
CID 142873942
chloro 3-ethylbenzoate
CID 142246460
sulfanyl 3-ethylbenzoate
CID 89208053
1-(isocyanatomethyl)-3-pent-2-en-3-ylbenzene
CID 173106295
ethylbenzene;N-methylmethanamine
CID 19063869

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine?
The IUPAC name of (Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine (CID 142246468) is (Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine is CC/C(=C/NC)c1cccc(CC)c1.
What is the InChIKey of (Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine?
The InChIKey is IEARKTWHWOAFMD-BENRWUELSA-N. The full InChI is InChI=1S/C13H19N/c1-4-11-7-6-8-13(9-11)12(5-2)10-14-3/h6-10,14H,4-5H2,1-3H3/b12-10-.
What are the key properties of (Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine?
(Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-ethylphenyl)-N-methylbut-1-en-1-amine is sourced from PubChem (CID 142246468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).