N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine

C15H26N2O — CID 62495292

IUPACN-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(CN)N(C)C(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-10-18-14-8-6-13(7-9-14)15(11-16)17(4)12(2)3/h6-9,12,15H,5,10-11,16H2,1-4H3
InChIKeyFYGWEVGJLMZCQA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.82
Rot. Bonds7

About N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine

N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 62495292) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID62495292
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(CN)N(C)C(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-10-18-14-8-6-13(7-9-14)15(11-16)17(4)12(2)3/h6-9,12,15H,5,10-11,16H2,1-4H3
InChIKeyFYGWEVGJLMZCQA-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62496776
N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 112658310
N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481726
N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 16786109
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62495950
N,N-diethyl-1-(4-pentoxyphenyl)ethane-1,2-diamine
CID 82043554
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine
CID 54912857
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571844
1-(4-methoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570775
1-(4-propoxyphenyl)propan-1-amine
CID 16783118

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine (CID 62495292) is N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc(C(CN)N(C)C(C)C)cc1.
What is the InChIKey of N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is FYGWEVGJLMZCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-10-18-14-8-6-13(7-9-14)15(11-16)17(4)12(2)3/h6-9,12,15H,5,10-11,16H2,1-4H3.
What are the key properties of N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine?
N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62495292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).