4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline

C12H16BrN — CID 43560330

IUPAC4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NCC1CC1
InChIInChI=1S/C12H16BrN/c1-8-5-11(13)6-9(2)12(8)14-7-10-3-4-10/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyUDVREVCMPFPYKI-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.89
Rot. Bonds3

About 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline

4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline (PubChem CID 43560330) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline
PubChem CID43560330
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NCC1CC1
InChIInChI=1S/C12H16BrN/c1-8-5-11(13)6-9(2)12(8)14-7-10-3-4-10/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyUDVREVCMPFPYKI-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline (CID 43560330) is 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline is Cc1cc(Br)cc(C)c1NCC1CC1.
What is the InChIKey of 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline?
The InChIKey is UDVREVCMPFPYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8-5-11(13)6-9(2)12(8)14-7-10-3-4-10/h5-6,10,14H,3-4,7H2,1-2H3.
What are the key properties of 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline?
4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline has a molecular weight of 254.17 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline is sourced from PubChem (CID 43560330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).