(Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine

C14H21NO — CID 103092965

IUPAC(Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine
SMILESCCOc1ccc(/C=C(/C)C(C)NC)cc1
InChIInChI=1S/C14H21NO/c1-5-16-14-8-6-13(7-9-14)10-11(2)12(3)15-4/h6-10,12,15H,5H2,1-4H3/b11-10-
InChIKeyLQONMNQVHLAFGX-KHPPLWFESA-N
MW219.33 g/mol
LogP3.10
Rot. Bonds5

About (Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine

(Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine (PubChem CID 103092965) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine
PubChem CID103092965
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine
SMILESCCOc1ccc(/C=C(/C)C(C)NC)cc1
InChIInChI=1S/C14H21NO/c1-5-16-14-8-6-13(7-9-14)10-11(2)12(3)15-4/h6-10,12,15H,5H2,1-4H3/b11-10-
InChIKeyLQONMNQVHLAFGX-KHPPLWFESA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze (Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine
CID 103092943
(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092940
(E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine
CID 103093159
(E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine
CID 103093563
(E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine
CID 103093396
1-[2-(chloromethyl)-3-methylbut-1-enyl]-4-ethoxybenzene
CID 79334247
(Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093109
3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid
CID 54032507
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
2-[(4-ethoxyphenyl)methylidene]butan-1-amine
CID 79322388
(Z)-2-cyano-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 19175082
1-(2-methylprop-1-enyl)-4-(2-methylpropoxy)benzene
CID 20609364

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
The IUPAC name of (Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine (CID 103092965) is (Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine.
What is the SMILES notation for (Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
The canonical SMILES for (Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine is CCOc1ccc(/C=C(/C)C(C)NC)cc1.
What is the InChIKey of (Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
The InChIKey is LQONMNQVHLAFGX-KHPPLWFESA-N. The full InChI is InChI=1S/C14H21NO/c1-5-16-14-8-6-13(7-9-14)10-11(2)12(3)15-4/h6-10,12,15H,5H2,1-4H3/b11-10-.
What are the key properties of (Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
(Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine has a molecular weight of 219.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine is sourced from PubChem (CID 103092965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).