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

C16H25NO2 — CID 103093109

IUPAC(Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
SMILESCCCOc1cc(/C=C(/C)C(C)NC)ccc1OC
InChIInChI=1S/C16H25NO2/c1-6-9-19-16-11-14(7-8-15(16)18-5)10-12(2)13(3)17-4/h7-8,10-11,13,17H,6,9H2,1-5H3/b12-10-
InChIKeyOVBIHOWOHHABBJ-BENRWUELSA-N
MW263.38 g/mol
LogP3.50
Rot. Bonds7

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

(Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine (PubChem CID 103093109) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
PubChem CID103093109
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
SMILESCCCOc1cc(/C=C(/C)C(C)NC)ccc1OC
InChIInChI=1S/C16H25NO2/c1-6-9-19-16-11-14(7-8-15(16)18-5)10-12(2)13(3)17-4/h7-8,10-11,13,17H,6,9H2,1-5H3/b12-10-
InChIKeyOVBIHOWOHHABBJ-BENRWUELSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092940
(Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine
CID 103092943
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335246
4-[2-(chloromethyl)-3-methylbut-1-enyl]-1-methoxy-2-propoxybenzene
CID 79334021
2-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methylbutanal
CID 79335181
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-enoic acid
CID 79726677
2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339418
1-methoxy-4-[(Z)-3-methyl-2-nitrobut-1-enyl]-2-propoxybenzene
CID 115347776
2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol
CID 79334289
4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene
CID 22970780
(E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092950
propan-2-yl (Z)-2-cyano-3-(4-methoxy-3-propoxyphenyl)prop-2-enoate
CID 51167124

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
The IUPAC name of (Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine (CID 103093109) is (Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine.
What is the SMILES notation for (Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
The canonical SMILES for (Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine is CCCOc1cc(/C=C(/C)C(C)NC)ccc1OC.
What is the InChIKey of (Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
The InChIKey is OVBIHOWOHHABBJ-BENRWUELSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-9-19-16-11-14(7-8-15(16)18-5)10-12(2)13(3)17-4/h7-8,10-11,13,17H,6,9H2,1-5H3/b12-10-.
What are the key properties of (Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
(Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine is sourced from PubChem (CID 103093109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).