(4-chloro-1-methylindol-2-yl)methanamine

C10H11ClN2 — CID 82657147

IUPAC(4-chloro-1-methylindol-2-yl)methanamine
SMILESCn1c(CN)cc2c(Cl)cccc21
InChIInChI=1S/C10H11ClN2/c1-13-7(6-12)5-8-9(11)3-2-4-10(8)13/h2-5H,6,12H2,1H3
InChIKeyUUPJXPBYLQLXGF-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.29
Rot. Bonds1

About (4-chloro-1-methylindol-2-yl)methanamine

(4-chloro-1-methylindol-2-yl)methanamine (PubChem CID 82657147) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is (4-chloro-1-methylindol-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-methylindol-2-yl)methanamine
PubChem CID82657147
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name(4-chloro-1-methylindol-2-yl)methanamine
SMILESCn1c(CN)cc2c(Cl)cccc21
InChIInChI=1S/C10H11ClN2/c1-13-7(6-12)5-8-9(11)3-2-4-10(8)13/h2-5H,6,12H2,1H3
InChIKeyUUPJXPBYLQLXGF-UHFFFAOYSA-N
XLogP2.29
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1-methylindol-2-yl)methanethiol
CID 117173500
(4,7-dichloro-1-methylindol-2-yl)methanamine
CID 83868356
4-chloro-2-(ethoxymethyl)-1-methylindole
CID 117173476
4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol
CID 117173387
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173092
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine
CID 117173103
4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole
CID 117173268
4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173307
(4-chloro-1-methylindol-2-yl)boronic acid
CID 91275284
3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117120480
N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine
CID 117173063
methyl 4-chloro-1-methylindole-2-carboxylate
CID 4777691

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylindol-2-yl)methanamine?
The IUPAC name of (4-chloro-1-methylindol-2-yl)methanamine (CID 82657147) is (4-chloro-1-methylindol-2-yl)methanamine.
What is the SMILES notation for (4-chloro-1-methylindol-2-yl)methanamine?
The canonical SMILES for (4-chloro-1-methylindol-2-yl)methanamine is Cn1c(CN)cc2c(Cl)cccc21.
What is the InChIKey of (4-chloro-1-methylindol-2-yl)methanamine?
The InChIKey is UUPJXPBYLQLXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-13-7(6-12)5-8-9(11)3-2-4-10(8)13/h2-5H,6,12H2,1H3.
What are the key properties of (4-chloro-1-methylindol-2-yl)methanamine?
(4-chloro-1-methylindol-2-yl)methanamine has a molecular weight of 194.66 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylindol-2-yl)methanamine is sourced from PubChem (CID 82657147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).