N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine

C15H26N2O — CID 62688459

IUPACN'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
SMILESCc1cc(OCCN(C)CCN)ccc1C(C)C
InChIInChI=1S/C15H26N2O/c1-12(2)15-6-5-14(11-13(15)3)18-10-9-17(4)8-7-16/h5-6,11-12H,7-10,16H2,1-4H3
InChIKeyKKTZXDJGBNOSJK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.39
Rot. Bonds7

About N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine

N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine (PubChem CID 62688459) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
PubChem CID62688459
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
SMILESCc1cc(OCCN(C)CCN)ccc1C(C)C
InChIInChI=1S/C15H26N2O/c1-12(2)15-6-5-14(11-13(15)3)18-10-9-17(4)8-7-16/h5-6,11-12H,7-10,16H2,1-4H3
InChIKeyKKTZXDJGBNOSJK-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propanoic acid
CID 60987347
2-methyl-1-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-2-ol
CID 78964659
2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol
CID 115637938
2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 60686361
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 115613652
2-(4-methyl-3-propan-2-ylphenoxy)ethanamine
CID 146289761
N'-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine;oxalic acid
CID 2922383
1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol
CID 78962368
(2S)-1-amino-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 9159080
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]benzenecarbothioamide
CID 22680521

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine (CID 62688459) is N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine is Cc1cc(OCCN(C)CCN)ccc1C(C)C.
What is the InChIKey of N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine?
The InChIKey is KKTZXDJGBNOSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)15-6-5-14(11-13(15)3)18-10-9-17(4)8-7-16/h5-6,11-12H,7-10,16H2,1-4H3.
What are the key properties of N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine?
N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62688459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).