(E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine

C12H17N — CID 155015598

IUPAC(E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine
SMILESCC/C(C)=C(/N)c1ccc(C)cc1
InChIInChI=1S/C12H17N/c1-4-10(3)12(13)11-7-5-9(2)6-8-11/h5-8H,4,13H2,1-3H3/b12-10+
InChIKeyRIXNNRVSFLHIMR-ZRDIBKRKSA-N
MW175.27 g/mol
LogP3.09
Rot. Bonds2

About (E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine

(E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine (PubChem CID 155015598) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine
PubChem CID155015598
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine
SMILESCC/C(C)=C(/N)c1ccc(C)cc1
InChIInChI=1S/C12H17N/c1-4-10(3)12(13)11-7-5-9(2)6-8-11/h5-8H,4,13H2,1-3H3/b12-10+
InChIKeyRIXNNRVSFLHIMR-ZRDIBKRKSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N'-methylmethanimidamide;(E)-2-methyl-1-[4-(piperidin-1-ylmethyl)phenyl]but-1-en-1-amine
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ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
N-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
ethanol;methanol;1,4-xylene
CID 70196397
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene
CID 132538169
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
methane;propane;1,4-xylene
CID 160778309
methane;propane;1,4-xylene
CID 143560264

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine?
The IUPAC name of (E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine (CID 155015598) is (E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine.
What is the SMILES notation for (E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine?
The canonical SMILES for (E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine is CC/C(C)=C(/N)c1ccc(C)cc1.
What is the InChIKey of (E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine?
The InChIKey is RIXNNRVSFLHIMR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H17N/c1-4-10(3)12(13)11-7-5-9(2)6-8-11/h5-8H,4,13H2,1-3H3/b12-10+.
What are the key properties of (E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine?
(E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine has a molecular weight of 175.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-(4-methylphenyl)but-1-en-1-amine is sourced from PubChem (CID 155015598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).