2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline

C13H17Br2NO — CID 103412121

IUPAC2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline
SMILESCOc1cc(NCC2CCCC2)c(Br)cc1Br
InChIInChI=1S/C13H17Br2NO/c1-17-13-7-12(10(14)6-11(13)15)16-8-9-4-2-3-5-9/h6-7,9,16H,2-5,8H2,1H3
InChIKeyNBBFYFFRSLSHRC-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.82
Rot. Bonds4

About 2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline

2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline (PubChem CID 103412121) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline.

Molecular Properties

Compound Name2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline
PubChem CID103412121
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline
SMILESCOc1cc(NCC2CCCC2)c(Br)cc1Br
InChIInChI=1S/C13H17Br2NO/c1-17-13-7-12(10(14)6-11(13)15)16-8-9-4-2-3-5-9/h6-7,9,16H,2-5,8H2,1H3
InChIKeyNBBFYFFRSLSHRC-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline 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

2-N-(cyclobutylmethyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001680
2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]-5-methoxyaniline
CID 103411352
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol
CID 103412767
2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline
CID 103413053
N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine
CID 103411364
2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 103412212
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
N-(cyclopentylmethyl)-5-methoxy-2-methylpyridin-4-amine
CID 106660273
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288
2-bromo-N-(cycloheptylmethyl)-4-iodoaniline
CID 114258973
2,4-dibromo-N-hexyl-5-methoxyaniline
CID 103411588

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline?
The IUPAC name of 2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline (CID 103412121) is 2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline.
What is the SMILES notation for 2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline?
The canonical SMILES for 2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline is COc1cc(NCC2CCCC2)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline?
The InChIKey is NBBFYFFRSLSHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-17-13-7-12(10(14)6-11(13)15)16-8-9-4-2-3-5-9/h6-7,9,16H,2-5,8H2,1H3.
What are the key properties of 2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline?
2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline has a molecular weight of 363.09 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline is sourced from PubChem (CID 103412121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).