N-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine

C10H11ClN2O — CID 87974527

IUPACN-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine
SMILESCc1cccc2c(N(O)CCl)c[nH]c12
InChIInChI=1S/C10H11ClN2O/c1-7-3-2-4-8-9(13(14)6-11)5-12-10(7)8/h2-5,12,14H,6H2,1H3
InChIKeyXJWUGKKYYQAAFQ-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.87
Rot. Bonds2

About N-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine

N-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine (PubChem CID 87974527) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is N-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine
PubChem CID87974527
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC NameN-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine
SMILESCc1cccc2c(N(O)CCl)c[nH]c12
InChIInChI=1S/C10H11ClN2O/c1-7-3-2-4-8-9(13(14)6-11)5-12-10(7)8/h2-5,12,14H,6H2,1H3
InChIKeyXJWUGKKYYQAAFQ-UHFFFAOYSA-N
XLogP2.87
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107
4-(piperazin-1-yl)-1H-indole
CID 594590
Tryptamine hydrochloride
CID 67652
5-Methyltryptamine
CID 15760

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine?
The IUPAC name of N-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine (CID 87974527) is N-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine.
What is the SMILES notation for N-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine?
The canonical SMILES for N-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine is Cc1cccc2c(N(O)CCl)c[nH]c12.
What is the InChIKey of N-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine?
The InChIKey is XJWUGKKYYQAAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-7-3-2-4-8-9(13(14)6-11)5-12-10(7)8/h2-5,12,14H,6H2,1H3.
What are the key properties of N-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine?
N-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine has a molecular weight of 210.66 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine is sourced from PubChem (CID 87974527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).