[1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine

C19H20N2 — CID 144568571

IUPAC[1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine
SMILESC/C=C\c1c(CN)n(-c2ccccc2C)c2ccccc12
InChIInChI=1S/C19H20N2/c1-3-8-15-16-10-5-7-12-18(16)21(19(15)13-20)17-11-6-4-9-14(17)2/h3-12H,13,20H2,1-2H3/b8-3-
InChIKeyHAWKTOHBDLPDEL-BAQGIRSFSA-N
MW276.38 g/mol
LogP4.43
Rot. Bonds3

About [1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine

[1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine (PubChem CID 144568571) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine
PubChem CID144568571
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name[1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine
SMILESC/C=C\c1c(CN)n(-c2ccccc2C)c2ccccc12
InChIInChI=1S/C19H20N2/c1-3-8-15-16-10-5-7-12-18(16)21(19(15)13-20)17-11-6-4-9-14(17)2/h3-12H,13,20H2,1-2H3/b8-3-
InChIKeyHAWKTOHBDLPDEL-BAQGIRSFSA-N
XLogP4.43
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indole
CID 144585528
2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole
CID 142430269
4-carbazol-9-yl-9-(2-methylphenyl)carbazole
CID 174273239
9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole
CID 59383702
1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium
CID 123854128
4-(2-methylphenyl)thieno[3,4-b]indole
CID 132503643
2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 92912509
2-methyl-1-[(3Z)-penta-1,3-dien-2-yl]-3-[(Z)-prop-1-enyl]indole
CID 137447929
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
2-methyl-1-prop-1-enylnaphthalene
CID 123646968
9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole
CID 144919572
ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
CID 144820845

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine?
The IUPAC name of [1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine (CID 144568571) is [1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine.
What is the SMILES notation for [1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine?
The canonical SMILES for [1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine is C/C=C\c1c(CN)n(-c2ccccc2C)c2ccccc12.
What is the InChIKey of [1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine?
The InChIKey is HAWKTOHBDLPDEL-BAQGIRSFSA-N. The full InChI is InChI=1S/C19H20N2/c1-3-8-15-16-10-5-7-12-18(16)21(19(15)13-20)17-11-6-4-9-14(17)2/h3-12H,13,20H2,1-2H3/b8-3-.
What are the key properties of [1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine?
[1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine has a molecular weight of 276.38 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indol-2-yl]methanamine is sourced from PubChem (CID 144568571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).