(E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine

C13H19NO — CID 103091447

IUPAC(E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
SMILESCC(N)/C=C/c1cccc(OC(C)C)c1
InChIInChI=1S/C13H19NO/c1-10(2)15-13-6-4-5-12(9-13)8-7-11(3)14/h4-11H,14H2,1-3H3/b8-7+
InChIKeySWNQDIKUUMQWQZ-BQYQJAHWSA-N
MW205.30 g/mol
LogP2.83
Rot. Bonds4

About (E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine

(E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine (PubChem CID 103091447) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
PubChem CID103091447
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
SMILESCC(N)/C=C/c1cccc(OC(C)C)c1
InChIInChI=1S/C13H19NO/c1-10(2)15-13-6-4-5-12(9-13)8-7-11(3)14/h4-11H,14H2,1-3H3/b8-7+
InChIKeySWNQDIKUUMQWQZ-BQYQJAHWSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-methyl-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
CID 103092042
1-(3-phenylbut-1-enyl)-3-propan-2-yloxybenzene
CID 162347407
N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine
CID 79340694
(E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid
CID 105460058
1-[5-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864766
[3-(3-phenylbut-1-enyl)phenyl] acetate
CID 162347764
4-[methyl-[3-(3-propan-2-yloxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 91943223
1-[2-(bromomethyl)but-1-enyl]-3-propan-2-yloxybenzene
CID 79323289
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
(Z,2S)-2-cyano-N-methyl-3-oxo-5-(3-propan-2-yloxyphenyl)pent-4-enamide
CID 98510062
[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate
CID 67721243
(E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine
CID 103091622

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine?
The IUPAC name of (E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine (CID 103091447) is (E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine.
What is the SMILES notation for (E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine?
The canonical SMILES for (E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine is CC(N)/C=C/c1cccc(OC(C)C)c1.
What is the InChIKey of (E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine?
The InChIKey is SWNQDIKUUMQWQZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)15-13-6-4-5-12(9-13)8-7-11(3)14/h4-11H,14H2,1-3H3/b8-7+.
What are the key properties of (E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine?
(E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine is sourced from PubChem (CID 103091447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).