N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine

C15H26N2O — CID 55089398

IUPACN'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCOCC(C)NCCN(C)c1ccc(C)cc1C
InChIInChI=1S/C15H26N2O/c1-12-6-7-15(13(2)10-12)17(4)9-8-16-14(3)11-18-5/h6-7,10,14,16H,8-9,11H2,1-5H3
InChIKeyYUKVAMJMOBUXNA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.36
Rot. Bonds7

About N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine

N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 55089398) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
PubChem CID55089398
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCOCC(C)NCCN(C)c1ccc(C)cc1C
InChIInChI=1S/C15H26N2O/c1-12-6-7-15(13(2)10-12)17(4)9-8-16-14(3)11-18-5/h6-7,10,14,16H,8-9,11H2,1-5H3
InChIKeyYUKVAMJMOBUXNA-UHFFFAOYSA-N
XLogP2.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
CID 63504265
N'-(3,5-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62555936
(2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine
CID 97074820
N-(1-methoxypropan-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62574091
2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64790360
1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62536445
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
CID 55248017
N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62984575
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66452564
1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine
CID 60688548

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine (CID 55089398) is N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine is COCC(C)NCCN(C)c1ccc(C)cc1C.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is YUKVAMJMOBUXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-6-7-15(13(2)10-12)17(4)9-8-16-14(3)11-18-5/h6-7,10,14,16H,8-9,11H2,1-5H3.
What are the key properties of N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55089398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).