1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine

C17H29BrN2O — CID 62617737

IUPAC1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
SMILESCCNC(CCN(CC)C(C)COC)c1cccc(Br)c1
InChIInChI=1S/C17H29BrN2O/c1-5-19-17(15-8-7-9-16(18)12-15)10-11-20(6-2)14(3)13-21-4/h7-9,12,14,17,19H,5-6,10-11,13H2,1-4H3
InChIKeyRYXIASRVRLFDGU-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.85
Rot. Bonds10

About 1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine

1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine (PubChem CID 62617737) has the molecular formula C17H29BrN2O and a molecular weight of 357.34 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
PubChem CID62617737
Molecular FormulaC17H29BrN2O
Molecular Weight357.34 g/mol
Exact Mass356.15
IUPAC Name1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
SMILESCCNC(CCN(CC)C(C)COC)c1cccc(Br)c1
InChIInChI=1S/C17H29BrN2O/c1-5-19-17(15-8-7-9-16(18)12-15)10-11-20(6-2)14(3)13-21-4/h7-9,12,14,17,19H,5-6,10-11,13H2,1-4H3
InChIKeyRYXIASRVRLFDGU-UHFFFAOYSA-N
XLogP3.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 79575057
1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643465
1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 63494741
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62613937
N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82953260
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62618958
1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63633029
1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62617396
N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103464457
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 55098067

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine (CID 62617737) is 1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine is CCNC(CCN(CC)C(C)COC)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The InChIKey is RYXIASRVRLFDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2O/c1-5-19-17(15-8-7-9-16(18)12-15)10-11-20(6-2)14(3)13-21-4/h7-9,12,14,17,19H,5-6,10-11,13H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine has a molecular weight of 357.34 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 62617737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).