(Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine

C18H19NO — CID 71219867

IUPAC(Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine
SMILESC=c1cc(OC)cc/c1=C(C)/C=C(\N)c1ccccc1
InChIInChI=1S/C18H19NO/c1-13-11-16(20-3)9-10-17(13)14(2)12-18(19)15-7-5-4-6-8-15/h4-12H,1,19H2,2-3H3/b17-14-,18-12-
InChIKeyCKZFLXYXDIKKRN-FPNTVTPRSA-N
MW265.36 g/mol
LogP2.28
Rot. Bonds3

About (Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine

(Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine (PubChem CID 71219867) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine
PubChem CID71219867
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine
SMILESC=c1cc(OC)cc/c1=C(C)/C=C(\N)c1ccccc1
InChIInChI=1S/C18H19NO/c1-13-11-16(20-3)9-10-17(13)14(2)12-18(19)15-7-5-4-6-8-15/h4-12H,1,19H2,2-3H3/b17-14-,18-12-
InChIKeyCKZFLXYXDIKKRN-FPNTVTPRSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine?
The IUPAC name of (Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine (CID 71219867) is (Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine.
What is the SMILES notation for (Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine?
The canonical SMILES for (Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine is C=c1cc(OC)cc/c1=C(C)/C=C(\N)c1ccccc1.
What is the InChIKey of (Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine?
The InChIKey is CKZFLXYXDIKKRN-FPNTVTPRSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-11-16(20-3)9-10-17(13)14(2)12-18(19)15-7-5-4-6-8-15/h4-12H,1,19H2,2-3H3/b17-14-,18-12-.
What are the key properties of (Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine?
(Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine has a molecular weight of 265.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-3-(4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylbut-1-en-1-amine is sourced from PubChem (CID 71219867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).