2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine

C16H18N2O — CID 163549085

IUPAC2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine
SMILESC=CCc1c(N)ccc(N)c1OCc1ccccc1
InChIInChI=1S/C16H18N2O/c1-2-6-13-14(17)9-10-15(18)16(13)19-11-12-7-4-3-5-8-12/h2-5,7-10H,1,6,11,17-18H2
InChIKeyFHMZETZKTVLHKT-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.16
Rot. Bonds5

About 2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine

2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine (PubChem CID 163549085) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine
PubChem CID163549085
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine
SMILESC=CCc1c(N)ccc(N)c1OCc1ccccc1
InChIInChI=1S/C16H18N2O/c1-2-6-13-14(17)9-10-15(18)16(13)19-11-12-7-4-3-5-8-12/h2-5,7-10H,1,6,11,17-18H2
InChIKeyFHMZETZKTVLHKT-UHFFFAOYSA-N
XLogP3.16
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene
CID 122657114
3,4-difluoro-2-phenylmethoxyaniline
CID 62532181
4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 15574386
4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene
CID 68583368
1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene
CID 23247258
3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 11357203
6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene
CID 68584270
(6-amino-3-methoxy-2-phenylmethoxyphenyl) prop-2-enoate
CID 175351170
prop-2-enylbenzene
CID 159998516
5-phenylmethoxy-4-prop-2-enylbenzene-1,3-dicarboxylic acid
CID 11098989
prop-2-enylbenzene;dihydrochloride
CID 174768742
phosphane;prop-2-enylbenzene
CID 87328808

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine?
The IUPAC name of 2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine (CID 163549085) is 2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine.
What is the SMILES notation for 2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine?
The canonical SMILES for 2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine is C=CCc1c(N)ccc(N)c1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine?
The InChIKey is FHMZETZKTVLHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-6-13-14(17)9-10-15(18)16(13)19-11-12-7-4-3-5-8-12/h2-5,7-10H,1,6,11,17-18H2.
What are the key properties of 2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine?
2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine has a molecular weight of 254.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine is sourced from PubChem (CID 163549085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).