(Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine

C13H19NO — CID 70986984

IUPAC(Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine
SMILESC/C=C(\CN)CCc1cccc(OC)c1
InChIInChI=1S/C13H19NO/c1-3-11(10-14)7-8-12-5-4-6-13(9-12)15-2/h3-6,9H,7-8,10,14H2,1-2H3/b11-3-
InChIKeyKXPGJQVZYSYDSB-JYOAFUTRSA-N
MW205.30 g/mol
LogP2.53
Rot. Bonds5

About (Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine

(Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine (PubChem CID 70986984) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine
PubChem CID70986984
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine
SMILESC/C=C(\CN)CCc1cccc(OC)c1
InChIInChI=1S/C13H19NO/c1-3-11(10-14)7-8-12-5-4-6-13(9-12)15-2/h3-6,9H,7-8,10,14H2,1-2H3/b11-3-
InChIKeyKXPGJQVZYSYDSB-JYOAFUTRSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride
CID 66983281
N-[4-(3-methoxyphenyl)butan-2-ylidene]hydroxylamine
CID 71379556
2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane
CID 175411262
1-methoxy-3-propylbenzene
CID 14270128
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
ethane;1-(3-methoxyphenyl)-4-methylpentan-3-one
CID 142910057
1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 24725838
(3-methoxyphenyl)(113C)methanol
CID 11593446
methyl 13-(3-methoxyphenyl)-4,11-dioxotrideca-5,7,9-trienoate
CID 173413536
propan-2-yl 3-(3-methoxyphenyl)propanoate
CID 14043098
2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
CID 66983257
4-(3-methoxyphenyl)-1-(methylamino)butan-2-one
CID 112517732

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine?
The IUPAC name of (Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine (CID 70986984) is (Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine.
What is the SMILES notation for (Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine?
The canonical SMILES for (Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine is C/C=C(\CN)CCc1cccc(OC)c1.
What is the InChIKey of (Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine?
The InChIKey is KXPGJQVZYSYDSB-JYOAFUTRSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-11(10-14)7-8-12-5-4-6-13(9-12)15-2/h3-6,9H,7-8,10,14H2,1-2H3/b11-3-.
What are the key properties of (Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine?
(Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine is sourced from PubChem (CID 70986984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).