N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine

C17H21BrN2 — CID 43180724

IUPACN'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)C(CNCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H21BrN2/c1-20(2)17(15-8-4-3-5-9-15)13-19-12-14-7-6-10-16(18)11-14/h3-11,17,19H,12-13H2,1-2H3
InChIKeyPDNBTXIIWOEIJM-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.84
Rot. Bonds6

About N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine

N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 43180724) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
PubChem CID43180724
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC NameN'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)C(CNCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H21BrN2/c1-20(2)17(15-8-4-3-5-9-15)13-19-12-14-7-6-10-16(18)11-14/h3-11,17,19H,12-13H2,1-2H3
InChIKeyPDNBTXIIWOEIJM-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-bromo-4-chlorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 83232282
N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine
CID 65024410
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43081308
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
N-[(3-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65024298
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861
N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854274
N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine
CID 60657346
N-[(3-bromophenyl)methyl]-N'-methyl-N'-phenylethane-1,2-diamine
CID 112823297
3-[[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]methyl]benzoic acid
CID 122030784
N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43225620
1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 61401206

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine (CID 43180724) is N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine is CN(C)C(CNCc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is PDNBTXIIWOEIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-20(2)17(15-8-4-3-5-9-15)13-19-12-14-7-6-10-16(18)11-14/h3-11,17,19H,12-13H2,1-2H3.
What are the key properties of N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 333.27 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43180724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).