1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine

C16H17BrN2 — CID 58181084

IUPAC1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(c1)c1ccccc1n2CCBr
InChIInChI=1S/C16H17BrN2/c1-18-11-12-6-7-16-14(10-12)13-4-2-3-5-15(13)19(16)9-8-17/h2-7,10,18H,8-9,11H2,1H3
InChIKeyRSVLKQYVYRRIIO-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.91
Rot. Bonds4

About 1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine

1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine (PubChem CID 58181084) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine
PubChem CID58181084
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(c1)c1ccccc1n2CCBr
InChIInChI=1S/C16H17BrN2/c1-18-11-12-6-7-16-14(10-12)13-4-2-3-5-15(13)19(16)9-8-17/h2-7,10,18H,8-9,11H2,1H3
InChIKeyRSVLKQYVYRRIIO-UHFFFAOYSA-N
XLogP3.91
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Latrepirdine
CID 197033
Iprindole
CID 21722
Rimcazole
CID 53389
Mebhydrolin
CID 22530
Pirlindole
CID 68802
LE-300
CID 4350931
3-Amino-9-ethylcarbazole
CID 8588
Avn-101
CID 42631003
1-Methyl-1H-indole-3-ethylamine
CID 23492
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
Pyrazidole
CID 115141

Frequently Asked Questions

What is the IUPAC name of 1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine (CID 58181084) is 1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine is CNCc1ccc2c(c1)c1ccccc1n2CCBr.
What is the InChIKey of 1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine?
The InChIKey is RSVLKQYVYRRIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-18-11-12-6-7-16-14(10-12)13-4-2-3-5-15(13)19(16)9-8-17/h2-7,10,18H,8-9,11H2,1H3.
What are the key properties of 1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine?
1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine has a molecular weight of 317.23 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 58181084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).