N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine

C15H26N2O — CID 116950303

IUPACN'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
SMILESCCNCC(NC)c1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C15H26N2O/c1-6-17-10-14(16-4)12-7-8-15(18-5)13(9-12)11(2)3/h7-9,11,14,16-17H,6,10H2,1-5H3
InChIKeyVVKHEQVZQVRKQM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.69
Rot. Bonds7

About N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine

N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine (PubChem CID 116950303) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
PubChem CID116950303
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
SMILESCCNCC(NC)c1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C15H26N2O/c1-6-17-10-14(16-4)12-7-8-15(18-5)13(9-12)11(2)3/h7-9,11,14,16-17H,6,10H2,1-5H3
InChIKeyVVKHEQVZQVRKQM-UHFFFAOYSA-N
XLogP2.69
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950339
N'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950593
3-(4-methoxy-3-propan-2-ylphenyl)-3-(methylamino)propanoic acid
CID 112518828
1-(4-ethoxy-3-fluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950328
1-chloro-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylmethanamine
CID 116962055
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 112518271
2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol
CID 112512598
1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950345
N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine
CID 116934906
1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950316
2-[(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methyl]butanenitrile
CID 116960530

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine (CID 116950303) is N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine is CCNCC(NC)c1ccc(OC)c(C(C)C)c1.
What is the InChIKey of N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is VVKHEQVZQVRKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-17-10-14(16-4)12-7-8-15(18-5)13(9-12)11(2)3/h7-9,11,14,16-17H,6,10H2,1-5H3.
What are the key properties of N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine?
N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 116950303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).