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

C14H23BrN2 — CID 61415507

IUPAC1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine
SMILESCCCCC(N)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2/c1-3-4-5-14(16)11-17(2)10-12-6-8-13(15)9-7-12/h6-9,14H,3-5,10-11,16H2,1-2H3
InChIKeyNMNCXCCZUGPLFP-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.40
Rot. Bonds7

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

1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine (PubChem CID 61415507) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine
PubChem CID61415507
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine
SMILESCCCCC(N)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2/c1-3-4-5-14(16)11-17(2)10-12-6-8-13(15)9-7-12/h6-9,14H,3-5,10-11,16H2,1-2H3
InChIKeyNMNCXCCZUGPLFP-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

3-N-[(4-bromophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119805
1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine
CID 60852438
(2S)-1-N-[(4-bromophenyl)methyl]-3-cyclopropyl-1-N-methylpropane-1,2-diamine
CID 112736504
2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine
CID 61415296
1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine
CID 60852628
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine
CID 65000683
(4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide
CID 155189225
N-[(4-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426449
N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine
CID 82017241
(2S)-1-(4-bromophenyl)pentan-2-amine
CID 104932340
1-N-[(3-bromophenyl)methyl]-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929581

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine?
The IUPAC name of 1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine (CID 61415507) is 1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine?
The canonical SMILES for 1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine is CCCCC(N)CN(C)Cc1ccc(Br)cc1.
What is the InChIKey of 1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine?
The InChIKey is NMNCXCCZUGPLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-3-4-5-14(16)11-17(2)10-12-6-8-13(15)9-7-12/h6-9,14H,3-5,10-11,16H2,1-2H3.
What are the key properties of 1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine?
1-N-[(4-bromophenyl)methyl]-1-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 1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine is sourced from PubChem (CID 61415507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).