(Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine

C15H23NO — CID 103092943

IUPAC(Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine
SMILESCCCOc1ccc(/C=C(/C)C(C)NC)cc1
InChIInChI=1S/C15H23NO/c1-5-10-17-15-8-6-14(7-9-15)11-12(2)13(3)16-4/h6-9,11,13,16H,5,10H2,1-4H3/b12-11-
InChIKeyZOBJZDCVBQBJMZ-QXMHVHEDSA-N
MW233.35 g/mol
LogP3.49
Rot. Bonds6

About (Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine

(Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine (PubChem CID 103092943) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine
PubChem CID103092943
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine
SMILESCCCOc1ccc(/C=C(/C)C(C)NC)cc1
InChIInChI=1S/C15H23NO/c1-5-10-17-15-8-6-14(7-9-15)11-12(2)13(3)16-4/h6-9,11,13,16H,5,10H2,1-4H3/b12-11-
InChIKeyZOBJZDCVBQBJMZ-QXMHVHEDSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092965
(E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine
CID 103093563
(Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093109
(E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine
CID 103093159
1-(2-methylprop-1-enyl)-4-tetradecoxybenzene
CID 150699958
(E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine
CID 103093396
(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092940
(E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092950
(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092906
N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine
CID 79340630
(E)-2-formyl-3-(4-propoxyphenyl)prop-2-enenitrile
CID 178022532
(E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide
CID 29424540

Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine?
The IUPAC name of (Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine (CID 103092943) is (Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine.
What is the SMILES notation for (Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine?
The canonical SMILES for (Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine is CCCOc1ccc(/C=C(/C)C(C)NC)cc1.
What is the InChIKey of (Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine?
The InChIKey is ZOBJZDCVBQBJMZ-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-10-17-15-8-6-14(7-9-15)11-12(2)13(3)16-4/h6-9,11,13,16H,5,10H2,1-4H3/b12-11-.
What are the key properties of (Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine?
(Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine is sourced from PubChem (CID 103092943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).