4-(4-methoxyphenyl)pent-3-en-1-amine

C12H17NO — CID 76997387

IUPAC4-(4-methoxyphenyl)pent-3-en-1-amine
SMILESCOc1ccc(C(C)=CCCN)cc1
InChIInChI=1S/C12H17NO/c1-10(4-3-9-13)11-5-7-12(14-2)8-6-11/h4-8H,3,9,13H2,1-2H3
InChIKeyKIOGMWILXUGJCO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.45
Rot. Bonds4

About 4-(4-methoxyphenyl)pent-3-en-1-amine

4-(4-methoxyphenyl)pent-3-en-1-amine (PubChem CID 76997387) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)pent-3-en-1-amine
PubChem CID76997387
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(4-methoxyphenyl)pent-3-en-1-amine
SMILESCOc1ccc(C(C)=CCCN)cc1
InChIInChI=1S/C12H17NO/c1-10(4-3-9-13)11-5-7-12(14-2)8-6-11/h4-8H,3,9,13H2,1-2H3
InChIKeyKIOGMWILXUGJCO-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine
CID 79591542
(E)-5-(4-methoxyphenyl)hex-4-enoic acid
CID 82079765
4-(4-methoxyphenyl)pent-3-enoic acid
CID 57142531
6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine
CID 76997298
(NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine
CID 155208974
(E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine
CID 95449708
1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene
CID 134934706
2-(4-methoxyphenyl)prop-1-enylboronic acid
CID 174428256
4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride
CID 57390385
4-(3-methylphenyl)pent-3-en-1-amine
CID 76996989
3-(4-phenoxyphenyl)but-2-en-1-amine
CID 54192751
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)pent-3-en-1-amine?
The IUPAC name of 4-(4-methoxyphenyl)pent-3-en-1-amine (CID 76997387) is 4-(4-methoxyphenyl)pent-3-en-1-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)pent-3-en-1-amine?
The canonical SMILES for 4-(4-methoxyphenyl)pent-3-en-1-amine is COc1ccc(C(C)=CCCN)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)pent-3-en-1-amine?
The InChIKey is KIOGMWILXUGJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(4-3-9-13)11-5-7-12(14-2)8-6-11/h4-8H,3,9,13H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)pent-3-en-1-amine?
4-(4-methoxyphenyl)pent-3-en-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)pent-3-en-1-amine is sourced from PubChem (CID 76997387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).