1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine

C14H24N2O — CID 116935047

IUPAC1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCOc1ccc(C(N)CNC(C)C)cc1C
InChIInChI=1S/C14H24N2O/c1-5-17-14-7-6-12(8-11(14)4)13(15)9-16-10(2)3/h6-8,10,13,16H,5,9,15H2,1-4H3
InChIKeyMPOYWKQQQPDSSR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.39
Rot. Bonds6

About 1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine

1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 116935047) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID116935047
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCOc1ccc(C(N)CNC(C)C)cc1C
InChIInChI=1S/C14H24N2O/c1-5-17-14-7-6-12(8-11(14)4)13(15)9-16-10(2)3/h6-8,10,13,16H,5,9,15H2,1-4H3
InChIKeyMPOYWKQQQPDSSR-UHFFFAOYSA-N
XLogP2.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine
CID 116935183
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine
CID 116933717
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584
2,4-diamino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 116942673
1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
CID 116954340
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024
1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine (CID 116935047) is 1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine is CCOc1ccc(C(N)CNC(C)C)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is MPOYWKQQQPDSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-17-14-7-6-12(8-11(14)4)13(15)9-16-10(2)3/h6-8,10,13,16H,5,9,15H2,1-4H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine?
1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 116935047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).