2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine

C14H23BrN2 — CID 62435019

IUPAC2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCNCC(CC)N(C)Cc1ccccc1Br
InChIInChI=1S/C14H23BrN2/c1-4-13(10-16-5-2)17(3)11-12-8-6-7-9-14(12)15/h6-9,13,16H,4-5,10-11H2,1-3H3
InChIKeySMXHNMNQISCKFJ-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.27
Rot. Bonds7

About 2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine

2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine (PubChem CID 62435019) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine
PubChem CID62435019
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCNCC(CC)N(C)Cc1ccccc1Br
InChIInChI=1S/C14H23BrN2/c1-4-13(10-16-5-2)17(3)11-12-8-6-7-9-14(12)15/h6-9,13,16H,4-5,10-11H2,1-3H3
InChIKeySMXHNMNQISCKFJ-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.27
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]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072605
2-N-[(2-bromophenyl)methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226067
1-N-ethyl-2-N-[(2-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054110
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63503088
2-N-[(2-bromophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62570545
2-N-[(2-bromophenyl)methyl]-1-N-(3-ethoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62567995
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine
CID 55074902
2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087665
2-N-[(2-bromophenyl)methyl]-4-ethylsulfanyl-2-N-methylbutane-1,2-diamine
CID 116504016
3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093309

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine (CID 62435019) is 2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine is CCNCC(CC)N(C)Cc1ccccc1Br.
What is the InChIKey of 2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine?
The InChIKey is SMXHNMNQISCKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-13(10-16-5-2)17(3)11-12-8-6-7-9-14(12)15/h6-9,13,16H,4-5,10-11H2,1-3H3.
What are the key properties of 2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine?
2-N-[(2-bromophenyl)methyl]-1-N-ethyl-2-N-methylbutane-1,2-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.27, 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]-1-N-ethyl-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 62435019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).