N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine

C17H21BrN2O — CID 61415283

IUPACN-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCOc1ccccc1C(CN)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C17H21BrN2O/c1-20(12-13-6-5-7-14(18)10-13)16(11-19)15-8-3-4-9-17(15)21-2/h3-10,16H,11-12,19H2,1-2H3
InChIKeyXEPMTGLLXASZQQ-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.59
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine

N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine (PubChem CID 61415283) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
PubChem CID61415283
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCOc1ccccc1C(CN)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C17H21BrN2O/c1-20(12-13-6-5-7-14(18)10-13)16(11-19)15-8-3-4-9-17(15)21-2/h3-10,16H,11-12,19H2,1-2H3
InChIKeyXEPMTGLLXASZQQ-UHFFFAOYSA-N
XLogP3.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987
N-[(3-bromophenyl)methyl]-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 61415951
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937
N-[(3-bromophenyl)methyl]-1-(4-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842951
N-[(3-bromophenyl)methyl]-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine
CID 63471937
1-(4-bromo-5-methylthiophen-2-yl)-N-[(3-bromophenyl)methyl]-N-methylethane-1,2-diamine
CID 102838606
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527436
N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine
CID 63208098
N-[(3-bromophenyl)methyl]-1-(3-fluorophenyl)-N-methylethane-1,2-diamine
CID 61415282
N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine
CID 62085068
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
CID 60965802
N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
CID 24694407

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine (CID 61415283) is N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine is COc1ccccc1C(CN)N(C)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine?
The InChIKey is XEPMTGLLXASZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-20(12-13-6-5-7-14(18)10-13)16(11-19)15-8-3-4-9-17(15)21-2/h3-10,16H,11-12,19H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine?
N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine has a molecular weight of 349.27 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 61415283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).