N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine

C19H26N2 — CID 65488249

IUPACN'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine
SMILESCc1ccccc1C(N)CCN(C)CCc1ccccc1
InChIInChI=1S/C19H26N2/c1-16-8-6-7-11-18(16)19(20)13-15-21(2)14-12-17-9-4-3-5-10-17/h3-11,19H,12-15,20H2,1-2H3
InChIKeyAXKBMAVMXFJPDS-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.56
Rot. Bonds7

About N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine

N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine (PubChem CID 65488249) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine
PubChem CID65488249
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine
SMILESCc1ccccc1C(N)CCN(C)CCc1ccccc1
InChIInChI=1S/C19H26N2/c1-16-8-6-7-11-18(16)19(20)13-15-21(2)14-12-17-9-4-3-5-10-17/h3-11,19H,12-15,20H2,1-2H3
InChIKeyAXKBMAVMXFJPDS-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487482
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487295
1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 55098115
N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
CID 57188438
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)propane-1,3-diamine
CID 63025144
N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 55098071
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629255

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine (CID 65488249) is N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine is Cc1ccccc1C(N)CCN(C)CCc1ccccc1.
What is the InChIKey of N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine?
The InChIKey is AXKBMAVMXFJPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-16-8-6-7-11-18(16)19(20)13-15-21(2)14-12-17-9-4-3-5-10-17/h3-11,19H,12-15,20H2,1-2H3.
What are the key properties of N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine?
N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine is sourced from PubChem (CID 65488249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).