4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine

C18H21N3O — CID 145427555

IUPAC4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine
SMILESCOc1ccc(/N=C(/C=C(N)CN)Cc2ccccc2)cc1
InChIInChI=1S/C18H21N3O/c1-22-18-9-7-16(8-10-18)21-17(12-15(20)13-19)11-14-5-3-2-4-6-14/h2-10,12H,11,13,19-20H2,1H3/b15-12?,21-17+
InChIKeyKJBKYKZSBNGIPP-KFYHXSGKSA-N
MW295.39 g/mol
LogP2.81
Rot. Bonds6

About 4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine

4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine (PubChem CID 145427555) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine
PubChem CID145427555
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine
SMILESCOc1ccc(/N=C(/C=C(N)CN)Cc2ccccc2)cc1
InChIInChI=1S/C18H21N3O/c1-22-18-9-7-16(8-10-18)21-17(12-15(20)13-19)11-14-5-3-2-4-6-14/h2-10,12H,11,13,19-20H2,1H3/b15-12?,21-17+
InChIKeyKJBKYKZSBNGIPP-KFYHXSGKSA-N
XLogP2.81
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanimidamide
CID 525856
(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
CID 135399881
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
CID 19881367
CID 19881367
1-phenylbut-2-en-2-amine
CID 68995045
N'-(4-methoxyphenyl)propanimidamide
CID 63174454
2-amino-4-(2-chloro-4-methoxyphenyl)imino-5-(4-methoxyphenyl)pent-2-enal
CID 145427578
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
anisole;guanidine
CID 172735542
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine?
The IUPAC name of 4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine (CID 145427555) is 4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine.
What is the SMILES notation for 4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine?
The canonical SMILES for 4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine is COc1ccc(/N=C(/C=C(N)CN)Cc2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine?
The InChIKey is KJBKYKZSBNGIPP-KFYHXSGKSA-N. The full InChI is InChI=1S/C18H21N3O/c1-22-18-9-7-16(8-10-18)21-17(12-15(20)13-19)11-14-5-3-2-4-6-14/h2-10,12H,11,13,19-20H2,1H3/b15-12?,21-17+.
What are the key properties of 4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine?
4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine has a molecular weight of 295.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)imino-5-phenylpent-2-ene-1,2-diamine is sourced from PubChem (CID 145427555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).