1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine

C14H21BrN2 — CID 105405049

IUPAC1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine
SMILESCc1ccc(C(CN)NC2CCCC2)cc1Br
InChIInChI=1S/C14H21BrN2/c1-10-6-7-11(8-13(10)15)14(9-16)17-12-4-2-3-5-12/h6-8,12,14,17H,2-5,9,16H2,1H3
InChIKeyAWJGFIIGIIJJHQ-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.29
Rot. Bonds4

About 1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine

1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine (PubChem CID 105405049) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine
PubChem CID105405049
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine
SMILESCc1ccc(C(CN)NC2CCCC2)cc1Br
InChIInChI=1S/C14H21BrN2/c1-10-6-7-11(8-13(10)15)14(9-16)17-12-4-2-3-5-12/h6-8,12,14,17H,2-5,9,16H2,1H3
InChIKeyAWJGFIIGIIJJHQ-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
1-(2-(2-Bromophenyl)-1-phenylethyl)piperazine
CID 44414750
Benzenemethanamine, 3-bromo-N-propyl-
CID 457590
Benzenemethanamine, 3-bromo-N-butyl-
CID 457591
Benzenemethanamine, 2-bromo-N-ethyl-
CID 485401
Benzenemethanamine, 2-bromo-N-butyl-
CID 485402
N-(3-bromobenzyl)-N-pentylamine
CID 11958382
N-(3-bromobenzyl)-N-hexylamine
CID 11958384
1-[[2-Bromo-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane;octahydrobromide
CID 54582737
N-(3-Bromobenzyl)-1-(2-(methylamino)ethyl)piperidin-4-amine
CID 137635057
N-[(3-bromophenyl)methyl]-1-[2-(methylamino)ethyl]azetidin-3-amine
CID 137647665
1-[[2-Bromo-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 460347

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine (CID 105405049) is 1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine is Cc1ccc(C(CN)NC2CCCC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine?
The InChIKey is AWJGFIIGIIJJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10-6-7-11(8-13(10)15)14(9-16)17-12-4-2-3-5-12/h6-8,12,14,17H,2-5,9,16H2,1H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine?
1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine has a molecular weight of 297.24 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine is sourced from PubChem (CID 105405049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).