2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine

C15H25BrN2 — CID 62461288

IUPAC2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(CC)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C15H25BrN2/c1-4-9-17-11-15(5-2)18(3)12-13-7-6-8-14(16)10-13/h6-8,10,15,17H,4-5,9,11-12H2,1-3H3
InChIKeyGWLRBRPZBVWNJD-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.66
Rot. Bonds8

About 2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine

2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine (PubChem CID 62461288) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
PubChem CID62461288
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(CC)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C15H25BrN2/c1-4-9-17-11-15(5-2)18(3)12-13-7-6-8-14(16)10-13/h6-8,10,15,17H,4-5,9,11-12H2,1-3H3
InChIKeyGWLRBRPZBVWNJD-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine 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-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62412977
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine
CID 83043127
2-N-methyl-2-N-(2-phenylethyl)-1-N-propylbutane-1,2-diamine
CID 65485985
2-[(3-bromophenyl)methyl]-4-methyl-N-propylhexan-1-amine
CID 55195268
2-(3-bromophenyl)-N-propylbutan-1-amine
CID 79443196
3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 103225664
3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
CID 103075001
2-[(3-bromophenyl)methyl]-N-propylheptan-1-amine
CID 63521929
N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494839
2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62461722
2-[(3-bromophenyl)methyl-methylamino]butanehydrazide
CID 55212097
N-[(3-bromophenyl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79485743

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine (CID 62461288) is 2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine is CCCNCC(CC)N(C)Cc1cccc(Br)c1.
What is the InChIKey of 2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine?
The InChIKey is GWLRBRPZBVWNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-4-9-17-11-15(5-2)18(3)12-13-7-6-8-14(16)10-13/h6-8,10,15,17H,4-5,9,11-12H2,1-3H3.
What are the key properties of 2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine?
2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62461288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).