(E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine

C14H21NO — CID 103092844

IUPAC(E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1ccccc1OC
InChIInChI=1S/C14H21NO/c1-4-11-15-12(2)9-10-13-7-5-6-8-14(13)16-3/h5-10,12,15H,4,11H2,1-3H3/b10-9+
InChIKeyPXCYSERMHGUKKA-MDZDMXLPSA-N
MW219.33 g/mol
LogP3.10
Rot. Bonds6

About (E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine

(E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine (PubChem CID 103092844) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine
PubChem CID103092844
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1ccccc1OC
InChIInChI=1S/C14H21NO/c1-4-11-15-12(2)9-10-13-7-5-6-8-14(13)16-3/h5-10,12,15H,4,11H2,1-3H3/b10-9+
InChIKeyPXCYSERMHGUKKA-MDZDMXLPSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine
CID 103092417
4-(2-methoxyphenyl)but-3-en-2-ol
CID 72800651
1-(3,3-dichloroprop-1-enyl)-2-methoxybenzene
CID 118255170
N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine
CID 4542946
3-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 66437216
(E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol
CID 102538266
(E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine
CID 103092393
2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid
CID 120509471
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol
CID 111119048
N-[2,2-dimethoxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79493375
1-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methoxybenzene
CID 79334601

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine (CID 103092844) is (E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine is CCCNC(C)/C=C/c1ccccc1OC.
What is the InChIKey of (E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine?
The InChIKey is PXCYSERMHGUKKA-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-11-15-12(2)9-10-13-7-5-6-8-14(13)16-3/h5-10,12,15H,4,11H2,1-3H3/b10-9+.
What are the key properties of (E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine?
(E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine has a molecular weight of 219.33 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103092844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).