2-chloro-5-[(3-methylindol-1-yl)methyl]aniline

C16H15ClN2 — CID 43316655

IUPAC2-chloro-5-[(3-methylindol-1-yl)methyl]aniline
SMILESCc1cn(Cc2ccc(Cl)c(N)c2)c2ccccc12
InChIInChI=1S/C16H15ClN2/c1-11-9-19(16-5-3-2-4-13(11)16)10-12-6-7-14(17)15(18)8-12/h2-9H,10,18H2,1H3
InChIKeyGWWIBPQSFNSFNK-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.23
Rot. Bonds2

About 2-chloro-5-[(3-methylindol-1-yl)methyl]aniline

2-chloro-5-[(3-methylindol-1-yl)methyl]aniline (PubChem CID 43316655) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-5-[(3-methylindol-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[(3-methylindol-1-yl)methyl]aniline
PubChem CID43316655
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-chloro-5-[(3-methylindol-1-yl)methyl]aniline
SMILESCc1cn(Cc2ccc(Cl)c(N)c2)c2ccccc12
InChIInChI=1S/C16H15ClN2/c1-11-9-19(16-5-3-2-4-13(11)16)10-12-6-7-14(17)15(18)8-12/h2-9H,10,18H2,1H3
InChIKeyGWWIBPQSFNSFNK-UHFFFAOYSA-N
XLogP4.23
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-methylindole;ethane
CID 145343697
[4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine
CID 63889043
[2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine
CID 106785915
5-(benzimidazol-1-ylmethyl)-2-chloroaniline
CID 43169019
1-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]butan-1-one
CID 3579948
1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole
CID 59014808
1-benzyl-3-methylindole;1,3-dioxolane
CID 23496284
1-[(3,4-dichlorophenyl)methyl]-4-methylindole
CID 116620210
2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
CID 43349882
methyl 4-[(3-methylindol-1-yl)methyl]benzoate
CID 43316679
2-chloro-5-[(5,6-dimethylbenzimidazol-1-yl)methyl]aniline
CID 43349889
[4-[(3-chloroindol-1-yl)methyl]-3-methylphenyl]methanamine
CID 114479103

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-methylindol-1-yl)methyl]aniline?
The IUPAC name of 2-chloro-5-[(3-methylindol-1-yl)methyl]aniline (CID 43316655) is 2-chloro-5-[(3-methylindol-1-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-5-[(3-methylindol-1-yl)methyl]aniline?
The canonical SMILES for 2-chloro-5-[(3-methylindol-1-yl)methyl]aniline is Cc1cn(Cc2ccc(Cl)c(N)c2)c2ccccc12.
What is the InChIKey of 2-chloro-5-[(3-methylindol-1-yl)methyl]aniline?
The InChIKey is GWWIBPQSFNSFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11-9-19(16-5-3-2-4-13(11)16)10-12-6-7-14(17)15(18)8-12/h2-9H,10,18H2,1H3.
What are the key properties of 2-chloro-5-[(3-methylindol-1-yl)methyl]aniline?
2-chloro-5-[(3-methylindol-1-yl)methyl]aniline has a molecular weight of 270.76 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-methylindol-1-yl)methyl]aniline is sourced from PubChem (CID 43316655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).