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

C14H23BrN2 — CID 61415296

IUPAC2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine
SMILESCCCCC(CN)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2/c1-3-4-5-14(10-16)17(2)11-12-6-8-13(15)9-7-12/h6-9,14H,3-5,10-11,16H2,1-2H3
InChIKeyQLPSOMYRERNOCI-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.40
Rot. Bonds7

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

2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine (PubChem CID 61415296) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine
PubChem CID61415296
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine
SMILESCCCCC(CN)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2/c1-3-4-5-14(10-16)17(2)11-12-6-8-13(15)9-7-12/h6-9,14H,3-5,10-11,16H2,1-2H3
InChIKeyQLPSOMYRERNOCI-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-2-N-[(4-methylphenyl)methyl]heptane-1,2-diamine
CID 43130465
2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine
CID 62879729
2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43211746
1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine
CID 61415507
2-N-methyl-2-N-[(4-methylphenyl)methyl]-5-methylsulfanylpentane-1,2-diamine
CID 103088584
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
CID 61438594
N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine
CID 143141535
2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine
CID 61420511
2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413577
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine
CID 61438547
tert-butyl N-[3-amino-2-[(4-bromophenyl)methyl-methylamino]propyl]carbamate
CID 102729699
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]nonane-1,2-diamine
CID 61438500

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine?
The IUPAC name of 2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine (CID 61415296) is 2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine?
The canonical SMILES for 2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine is CCCCC(CN)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine?
The InChIKey is QLPSOMYRERNOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-3-4-5-14(10-16)17(2)11-12-6-8-13(15)9-7-12/h6-9,14H,3-5,10-11,16H2,1-2H3.
What are the key properties of 2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine?
2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine is sourced from PubChem (CID 61415296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).