N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine

C18H27BrN2 — CID 63682366

IUPACN'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccccc1Br)CC1CC2CCC1C2
InChIInChI=1S/C18H27BrN2/c1-21(12-15-11-13-6-7-14(15)10-13)9-8-18(20)16-4-2-3-5-17(16)19/h2-5,13-15,18H,6-12,20H2,1H3
InChIKeyZGWZODZFDVNCHD-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.21
Rot. Bonds6

About N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine

N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 63682366) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine
PubChem CID63682366
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC NameN'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccccc1Br)CC1CC2CCC1C2
InChIInChI=1S/C18H27BrN2/c1-21(12-15-11-13-6-7-14(15)10-13)9-8-18(20)16-4-2-3-5-17(16)19/h2-5,13-15,18H,6-12,20H2,1H3
InChIKeyZGWZODZFDVNCHD-UHFFFAOYSA-N
XLogP4.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55098747
1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743611
1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625043
1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62624360
1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63866126
1-(2-bromophenyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 62629071
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine
CID 63684185
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N',2-dimethylpentane-1,5-diamine
CID 82684236
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 63683962
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(2-chlorophenyl)propan-1-one
CID 63681519
1-(2-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624168

Frequently Asked Questions

What is the IUPAC name of N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine (CID 63682366) is N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine is CN(CCC(N)c1ccccc1Br)CC1CC2CCC1C2.
What is the InChIKey of N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is ZGWZODZFDVNCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-21(12-15-11-13-6-7-14(15)10-13)9-8-18(20)16-4-2-3-5-17(16)19/h2-5,13-15,18H,6-12,20H2,1H3.
What are the key properties of N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine?
N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 351.33 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63682366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).