2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine

C15H25BrN2 — CID 55072605

IUPAC2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CNC(C)C)N(C)Cc1ccccc1Br
InChIInChI=1S/C15H25BrN2/c1-5-14(10-17-12(2)3)18(4)11-13-8-6-7-9-15(13)16/h6-9,12,14,17H,5,10-11H2,1-4H3
InChIKeyYNXPPRKGOAXAMZ-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.66
Rot. Bonds7

About 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine

2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 55072605) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID55072605
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CNC(C)C)N(C)Cc1ccccc1Br
InChIInChI=1S/C15H25BrN2/c1-5-14(10-17-12(2)3)18(4)11-13-8-6-7-9-15(13)16/h6-9,12,14,17H,5,10-11H2,1-4H3
InChIKeyYNXPPRKGOAXAMZ-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 62435018
2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine
CID 62435019
2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087665
2-N-[(2-bromophenyl)methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226067
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63503088
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55072069
2-N-[(2-bromophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62570545
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
2-N-[(2-bromophenyl)methyl]-1-N-(3-ethoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62567995
2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137658
2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675587

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine (CID 55072605) is 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine is CCC(CNC(C)C)N(C)Cc1ccccc1Br.
What is the InChIKey of 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is YNXPPRKGOAXAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-5-14(10-17-12(2)3)18(4)11-13-8-6-7-9-15(13)16/h6-9,12,14,17H,5,10-11H2,1-4H3.
What are the key properties of 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine?
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 55072605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).