1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

C15H24BrClN2 — CID 66159282

IUPAC1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CNCc1cc(Cl)ccc1Br)N(C)C
InChIInChI=1S/C15H24BrClN2/c1-11(2)7-14(19(3)4)10-18-9-12-8-13(17)5-6-15(12)16/h5-6,8,11,14,18H,7,9-10H2,1-4H3
InChIKeyZBVFYFMDNKGPAB-UHFFFAOYSA-N
MW347.73 g/mol
LogP4.17
Rot. Bonds7

About 1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 66159282) has the molecular formula C15H24BrClN2 and a molecular weight of 347.73 g/mol. Its IUPAC name is 1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID66159282
Molecular FormulaC15H24BrClN2
Molecular Weight347.73 g/mol
Exact Mass346.08
IUPAC Name1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CNCc1cc(Cl)ccc1Br)N(C)C
InChIInChI=1S/C15H24BrClN2/c1-11(2)7-14(19(3)4)10-18-9-12-8-13(17)5-6-15(12)16/h5-6,8,11,14,18H,7,9-10H2,1-4H3
InChIKeyZBVFYFMDNKGPAB-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 83236305
2-N,2-N,4-trimethyl-1-N-[(2,4,5-trifluorophenyl)methyl]pentane-1,2-diamine
CID 103792523
(2R)-3-[(2-bromo-5-chlorophenyl)methylamino]propane-1,2-diol
CID 165476502
1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol
CID 115660111
N-[(2-bromo-5-chlorophenyl)methyl]-2-methylsulfinylethanamine
CID 115660120
1-N-[(4-bromo-3-nitrophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43434700
2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol
CID 66159586
1-[(2-bromo-5-chlorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838920
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170865442
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine
CID 43094406

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 66159282) is 1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CNCc1cc(Cl)ccc1Br)N(C)C.
What is the InChIKey of 1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is ZBVFYFMDNKGPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrClN2/c1-11(2)7-14(19(3)4)10-18-9-12-8-13(17)5-6-15(12)16/h5-6,8,11,14,18H,7,9-10H2,1-4H3.
What are the key properties of 1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 347.73 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-bromo-5-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 66159282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).