1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine

C17H28BrClN2 — CID 82778187

IUPAC1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
SMILESCNC(CCN(C)C(C)CC(C)C)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H28BrClN2/c1-12(2)10-13(3)21(5)9-8-17(20-4)15-7-6-14(18)11-16(15)19/h6-7,11-13,17,20H,8-10H2,1-5H3
InChIKeyFSAXMEDMGGUHHA-UHFFFAOYSA-N
MW375.78 g/mol
LogP5.12
Rot. Bonds8

About 1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine

1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine (PubChem CID 82778187) has the molecular formula C17H28BrClN2 and a molecular weight of 375.78 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
PubChem CID82778187
Molecular FormulaC17H28BrClN2
Molecular Weight375.78 g/mol
Exact Mass374.11
IUPAC Name1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
SMILESCNC(CCN(C)C(C)CC(C)C)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H28BrClN2/c1-12(2)10-13(3)21(5)9-8-17(20-4)15-7-6-14(18)11-16(15)19/h6-7,11-13,17,20H,8-10H2,1-5H3
InChIKeyFSAXMEDMGGUHHA-UHFFFAOYSA-N
XLogP5.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.78
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine with MolForge

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N'-ethyl-N-methyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 82777986
1-(4-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115845773
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624169
1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 104554767
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylpropane-1,3-diamine
CID 82776656
N,N'-dimethyl-N'-(4-methylpentan-2-yl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619308
1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107011343
1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine
CID 82776155
1-(4-bromo-2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 82776914
1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819
5-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(4-methylpentan-2-yl)aniline
CID 82968358
1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine
CID 82777421

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine (CID 82778187) is 1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine is CNC(CCN(C)C(C)CC(C)C)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The InChIKey is FSAXMEDMGGUHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrClN2/c1-12(2)10-13(3)21(5)9-8-17(20-4)15-7-6-14(18)11-16(15)19/h6-7,11-13,17,20H,8-10H2,1-5H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine has a molecular weight of 375.78 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 82778187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).