2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine

C17H31N3O — CID 102992432

IUPAC2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine
SMILESCCN(CCCN(C)C)C(C)C(N)c1ccc(OC)cc1
InChIInChI=1S/C17H31N3O/c1-6-20(13-7-12-19(3)4)14(2)17(18)15-8-10-16(21-5)11-9-15/h8-11,14,17H,6-7,12-13,18H2,1-5H3
InChIKeyFYNRICMTBSDJHO-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.36
Rot. Bonds9

About 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine

2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine (PubChem CID 102992432) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine
PubChem CID102992432
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine
SMILESCCN(CCCN(C)C)C(C)C(N)c1ccc(OC)cc1
InChIInChI=1S/C17H31N3O/c1-6-20(13-7-12-19(3)4)14(2)17(18)15-8-10-16(21-5)11-9-15/h8-11,14,17H,6-7,12-13,18H2,1-5H3
InChIKeyFYNRICMTBSDJHO-UHFFFAOYSA-N
XLogP2.36
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 16781513
1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055276
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine
CID 43270350
4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
CID 102999085
2-[3-(dimethylamino)propyl-methylamino]-1-(4-methoxyphenyl)ethanol
CID 63698745
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
CID 43309942
1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55016003
1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55016192
N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592
1-(4-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
CID 43105242

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine (CID 102992432) is 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine is CCN(CCCN(C)C)C(C)C(N)c1ccc(OC)cc1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine?
The InChIKey is FYNRICMTBSDJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-20(13-7-12-19(3)4)14(2)17(18)15-8-10-16(21-5)11-9-15/h8-11,14,17H,6-7,12-13,18H2,1-5H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine?
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine has a molecular weight of 293.46 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine is sourced from PubChem (CID 102992432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).