1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine

C16H25BrN2 — CID 63866126

IUPAC1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
SMILESCNC(CCN(C)CC1CC1C)c1ccccc1Br
InChIInChI=1S/C16H25BrN2/c1-12-10-13(12)11-19(3)9-8-16(18-2)14-6-4-5-7-15(14)17/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyIQWOURVXVVMIHR-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.69
Rot. Bonds7

About 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine

1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine (PubChem CID 63866126) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
PubChem CID63866126
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
SMILESCNC(CCN(C)CC1CC1C)c1ccccc1Br
InChIInChI=1S/C16H25BrN2/c1-12-10-13(12)11-19(3)9-8-16(18-2)14-6-4-5-7-15(14)17/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyIQWOURVXVVMIHR-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N,N'-dimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713061
1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 63495491
1-(2-bromophenyl)-N-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62630602
1-(2-bromophenyl)-N'-[2-(dimethylamino)ethyl]-N-methyl-N'-propylpropane-1,3-diamine
CID 62629274
1-(2-methoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 55258622
1-(2-bromophenyl)-N-methylhexan-1-amine
CID 62602989
1-(2-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62629267
1-(2-bromophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112665006
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 63493011
1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
CID 63837367
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine
CID 55258829

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine (CID 63866126) is 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine is CNC(CCN(C)CC1CC1C)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine?
The InChIKey is IQWOURVXVVMIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-12-10-13(12)11-19(3)9-8-16(18-2)14-6-4-5-7-15(14)17/h4-7,12-13,16,18H,8-11H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine?
1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine has a molecular weight of 325.29 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63866126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).