N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine

C13H22N2 — CID 62417944

IUPACN,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
SMILESCCCN(C)C(CNC)c1ccccc1
InChIInChI=1S/C13H22N2/c1-4-10-15(3)13(11-14-2)12-8-6-5-7-9-12/h5-9,13-14H,4,10-11H2,1-3H3
InChIKeyJJBXWOXQSXAZGF-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.29
Rot. Bonds6

About N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine

N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine (PubChem CID 62417944) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
PubChem CID62417944
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
SMILESCCCN(C)C(CNC)c1ccccc1
InChIInChI=1S/C13H22N2/c1-4-10-15(3)13(11-14-2)12-8-6-5-7-9-12/h5-9,13-14H,4,10-11H2,1-3H3
InChIKeyJJBXWOXQSXAZGF-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
CID 62420575
N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 62462209
N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine
CID 79858682
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494234
N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62432915
N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424767
N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55070032
N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62462915
N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
CID 62419505
N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424766

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine (CID 62417944) is N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine is CCCN(C)C(CNC)c1ccccc1.
What is the InChIKey of N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine?
The InChIKey is JJBXWOXQSXAZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-10-15(3)13(11-14-2)12-8-6-5-7-9-12/h5-9,13-14H,4,10-11H2,1-3H3.
What are the key properties of N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine?
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 62417944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).