1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine

C16H27BrN2O2 — CID 62618958

IUPAC1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
SMILESCNC(CCN(CCOC)CCOC)c1cccc(Br)c1
InChIInChI=1S/C16H27BrN2O2/c1-18-16(14-5-4-6-15(17)13-14)7-8-19(9-11-20-2)10-12-21-3/h4-6,13,16,18H,7-12H2,1-3H3
InChIKeyMQXLKUIGTLKSJN-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.69
Rot. Bonds11

About 1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine

1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine (PubChem CID 62618958) has the molecular formula C16H27BrN2O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
PubChem CID62618958
Molecular FormulaC16H27BrN2O2
Molecular Weight359.31 g/mol
Exact Mass358.13
IUPAC Name1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
SMILESCNC(CCN(CCOC)CCOC)c1cccc(Br)c1
InChIInChI=1S/C16H27BrN2O2/c1-18-16(14-5-4-6-15(17)13-14)7-8-19(9-11-20-2)10-12-21-3/h4-6,13,16,18H,7-12H2,1-3H3
InChIKeyMQXLKUIGTLKSJN-UHFFFAOYSA-N
XLogP2.69
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62617396
3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 62618326
N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618960
1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine
CID 62618045
1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 62618729
1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63495016
1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950243
1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62629443
1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62619786
1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 63493560
1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62617737
1-(3-bromophenyl)-N'-(furan-2-ylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 62617201

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine (CID 62618958) is 1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine is CNC(CCN(CCOC)CCOC)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine?
The InChIKey is MQXLKUIGTLKSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O2/c1-18-16(14-5-4-6-15(17)13-14)7-8-19(9-11-20-2)10-12-21-3/h4-6,13,16,18H,7-12H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine?
1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine has a molecular weight of 359.31 g/mol, XLogP of 2.69, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 62618958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).