(Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine

C18H20ClNO2 — CID 170887821

IUPAC(Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine
SMILESCOc1ccc(/C(Cl)=C(\CCN)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20ClNO2/c1-21-15-7-3-13(4-8-15)17(11-12-20)18(19)14-5-9-16(22-2)10-6-14/h3-10H,11-12,20H2,1-2H3/b18-17-
InChIKeyZOSDHWZIQDGNQT-ZCXUNETKSA-N
MW317.82 g/mol
LogP4.16
Rot. Bonds6

About (Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine

(Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine (PubChem CID 170887821) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine
PubChem CID170887821
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine
SMILESCOc1ccc(/C(Cl)=C(\CCN)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20ClNO2/c1-21-15-7-3-13(4-8-15)17(11-12-20)18(19)14-5-9-16(22-2)10-6-14/h3-10H,11-12,20H2,1-2H3/b18-17-
InChIKeyZOSDHWZIQDGNQT-ZCXUNETKSA-N
XLogP4.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol
CID 58223742
1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 15417407
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol
CID 15530718
4-methoxybenzenecarbohydrazonoyl chloride
CID 175972559
2-[4-[(Z)-1-(4-chlorophenyl)-2-(4-methoxyphenyl)but-1-enyl]phenoxy]ethanamine
CID 171715851
3-chloro-3-(4-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 54258462
5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one
CID 116613517
3-chloro-2-(4-methoxyphenyl)-3-phenylprop-2-enenitrile
CID 54029927
1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
CID 44604980
4-(4-methoxyphenyl)pent-3-en-1-amine
CID 76997387
1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene
CID 13119213

Frequently Asked Questions

What is the IUPAC name of (Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine?
The IUPAC name of (Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine (CID 170887821) is (Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine.
What is the SMILES notation for (Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine?
The canonical SMILES for (Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine is COc1ccc(/C(Cl)=C(\CCN)c2ccc(OC)cc2)cc1.
What is the InChIKey of (Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine?
The InChIKey is ZOSDHWZIQDGNQT-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-21-15-7-3-13(4-8-15)17(11-12-20)18(19)14-5-9-16(22-2)10-6-14/h3-10H,11-12,20H2,1-2H3/b18-17-.
What are the key properties of (Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine?
(Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine has a molecular weight of 317.82 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-chloro-3,4-bis(4-methoxyphenyl)but-3-en-1-amine is sourced from PubChem (CID 170887821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).