1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine

C18H23BrN2 — CID 62619476

IUPAC1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
SMILESCc1ccccc1CN(C)CCC(N)c1ccc(Br)cc1
InChIInChI=1S/C18H23BrN2/c1-14-5-3-4-6-16(14)13-21(2)12-11-18(20)15-7-9-17(19)10-8-15/h3-10,18H,11-13,20H2,1-2H3
InChIKeyVMNSEPHNCRWIKP-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.28
Rot. Bonds6

About 1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine

1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine (PubChem CID 62619476) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
PubChem CID62619476
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
SMILESCc1ccccc1CN(C)CCC(N)c1ccc(Br)cc1
InChIInChI=1S/C18H23BrN2/c1-14-5-3-4-6-16(14)13-21(2)12-11-18(20)15-7-9-17(19)10-8-15/h3-10,18H,11-13,20H2,1-2H3
InChIKeyVMNSEPHNCRWIKP-UHFFFAOYSA-N
XLogP4.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
CID 62619765
1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644732
1-(4-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 62618426
N-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 63502577
1-(4-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62630002
1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 62617768
1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
CID 62618887
1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine
CID 63494766
N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890
1-(3-chlorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62623300
1-(4-bromophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274523

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine (CID 62619476) is 1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine is Cc1ccccc1CN(C)CCC(N)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The InChIKey is VMNSEPHNCRWIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-14-5-3-4-6-16(14)13-21(2)12-11-18(20)15-7-9-17(19)10-8-15/h3-10,18H,11-13,20H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine has a molecular weight of 347.30 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62619476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).