1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine

C18H31BrN2 — CID 63495417

IUPAC1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
SMILESCCNC(CCN(C)C(C)CC(C)C)c1ccccc1Br
InChIInChI=1S/C18H31BrN2/c1-6-20-18(16-9-7-8-10-17(16)19)11-12-21(5)15(4)13-14(2)3/h7-10,14-15,18,20H,6,11-13H2,1-5H3
InChIKeyNCUSVIBSIQQEHP-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.86
Rot. Bonds9

About 1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine

1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine (PubChem CID 63495417) has the molecular formula C18H31BrN2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
PubChem CID63495417
Molecular FormulaC18H31BrN2
Molecular Weight355.36 g/mol
Exact Mass354.17
IUPAC Name1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
SMILESCCNC(CCN(C)C(C)CC(C)C)c1ccccc1Br
InChIInChI=1S/C18H31BrN2/c1-6-20-18(16-9-7-8-10-17(16)19)11-12-21(5)15(4)13-14(2)3/h7-10,14-15,18,20H,6,11-13H2,1-5H3
InChIKeyNCUSVIBSIQQEHP-UHFFFAOYSA-N
XLogP4.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630308
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62643860
1-(2-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624168
1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63495598
1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine
CID 63483594
1-(2-bromophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112665006
1-(2-bromophenyl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009011
1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63417467
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644486
1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 114209930
1-(3-bromo-2-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834241
[1-(2-bromophenyl)-3-methylbutyl]hydrazine
CID 105208508

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine (CID 63495417) is 1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine is CCNC(CCN(C)C(C)CC(C)C)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The InChIKey is NCUSVIBSIQQEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31BrN2/c1-6-20-18(16-9-7-8-10-17(16)19)11-12-21(5)15(4)13-14(2)3/h7-10,14-15,18,20H,6,11-13H2,1-5H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine has a molecular weight of 355.36 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 63495417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).