2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine

C13H15ClN2 — CID 107236179

IUPAC2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCc1cn(C)c2ccccc12
InChIInChI=1S/C13H15ClN2/c1-10(14)7-15-8-11-9-16(2)13-6-4-3-5-12(11)13/h3-6,9,15H,1,7-8H2,2H3
InChIKeyFRNIKEUWGCVPOP-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine

2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine (PubChem CID 107236179) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
PubChem CID107236179
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCc1cn(C)c2ccccc12
InChIInChI=1S/C13H15ClN2/c1-10(14)7-15-8-11-9-16(2)13-6-4-3-5-12(11)13/h3-6,9,15H,1,7-8H2,2H3
InChIKeyFRNIKEUWGCVPOP-UHFFFAOYSA-N
XLogP3.02
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 115121377
4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
CID 115212478
2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine
CID 115222251
1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 107235921
2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
CID 107236106
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 106145375
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064
N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 107236288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine (CID 107236179) is 2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine is C=C(Cl)CNCc1cn(C)c2ccccc12.
What is the InChIKey of 2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine?
The InChIKey is FRNIKEUWGCVPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-10(14)7-15-8-11-9-16(2)13-6-4-3-5-12(11)13/h3-6,9,15H,1,7-8H2,2H3.
What are the key properties of 2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine?
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine has a molecular weight of 234.73 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 107236179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).