(1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine

C17H17N — CID 167105922

IUPAC(1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine
SMILESC=C1Cc2c(ccc3ccccc23)C/C1=C(/C)N
InChIInChI=1S/C17H17N/c1-11-9-17-14(10-16(11)12(2)18)8-7-13-5-3-4-6-15(13)17/h3-8H,1,9-10,18H2,2H3/b16-12+
InChIKeyJVTIRXDLNDEYIH-FOWTUZBSSA-N
MW235.33 g/mol
LogP3.73
Rot. Bonds

About (1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine

(1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine (PubChem CID 167105922) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is (1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine.

Molecular Properties

Compound Name(1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine
PubChem CID167105922
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name(1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine
SMILESC=C1Cc2c(ccc3ccccc23)C/C1=C(/C)N
InChIInChI=1S/C17H17N/c1-11-9-17-14(10-16(11)12(2)18)8-7-13-5-3-4-6-15(13)17/h3-8H,1,9-10,18H2,2H3/b16-12+
InChIKeyJVTIRXDLNDEYIH-FOWTUZBSSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 158563548
2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene
CID 130219629
9-methoxy-11H-benzo[a]fluorene
CID 13401823
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
2,4-dihydro-1H-picen-3-one
CID 91098928
ethane;methane;phenanthrene
CID 144938954
phenanthrene;phosphinous acid
CID 174826862
ethane;methane;phenanthrene
CID 144939263
7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 158908888

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine?
The IUPAC name of (1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine (CID 167105922) is (1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine.
What is the SMILES notation for (1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine?
The canonical SMILES for (1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine is C=C1Cc2c(ccc3ccccc23)C/C1=C(/C)N.
What is the InChIKey of (1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine?
The InChIKey is JVTIRXDLNDEYIH-FOWTUZBSSA-N. The full InChI is InChI=1S/C17H17N/c1-11-9-17-14(10-16(11)12(2)18)8-7-13-5-3-4-6-15(13)17/h3-8H,1,9-10,18H2,2H3/b16-12+.
What are the key properties of (1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine?
(1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(3-methylidene-1,4-dihydrophenanthren-2-ylidene)ethanamine is sourced from PubChem (CID 167105922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).