2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine

C15H25BrN2O — CID 106675587

IUPAC2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)N(C)Cc1ccccc1Br
InChIInChI=1S/C15H25BrN2O/c1-15(2,19-4)9-13(10-17)18(3)11-12-7-5-6-8-14(12)16/h5-8,13H,9-11,17H2,1-4H3
InChIKeyFLJZXMYMISEAFF-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.02
Rot. Bonds7

About 2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine

2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine (PubChem CID 106675587) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
PubChem CID106675587
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)N(C)Cc1ccccc1Br
InChIInChI=1S/C15H25BrN2O/c1-15(2,19-4)9-13(10-17)18(3)11-12-7-5-6-8-14(12)16/h5-8,13H,9-11,17H2,1-4H3
InChIKeyFLJZXMYMISEAFF-UHFFFAOYSA-N
XLogP3.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine with MolForge

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Related Compounds

2-N-[(2-bromophenyl)methyl]-4-ethylsulfanyl-2-N-methylbutane-1,2-diamine
CID 116504016
2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137658
methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate
CID 60705715
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072605
4-methoxy-2-N-(2-methoxyphenyl)-2-N,4-dimethylpentane-1,2-diamine
CID 106675642
2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675701
2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 62435018
N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 61416089
1-(4-bromo-5-methylthiophen-2-yl)-N-[(2-bromophenyl)methyl]-N-methylethane-1,2-diamine
CID 102838611
2-N-[(2-bromophenyl)methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226067
2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine
CID 62435019
2-N-[(2-bromophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62570545

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine (CID 106675587) is 2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine is COC(C)(C)CC(CN)N(C)Cc1ccccc1Br.
What is the InChIKey of 2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The InChIKey is FLJZXMYMISEAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-15(2,19-4)9-13(10-17)18(3)11-12-7-5-6-8-14(12)16/h5-8,13H,9-11,17H2,1-4H3.
What are the key properties of 2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine has a molecular weight of 329.28 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 106675587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).