N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine

C15H26N2O — CID 115200149

IUPACN'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
SMILESCOc1ccc(C)cc1CCNCC(C)(C)CN
InChIInChI=1S/C15H26N2O/c1-12-5-6-14(18-4)13(9-12)7-8-17-11-15(2,3)10-16/h5-6,9,17H,7-8,10-11,16H2,1-4H3
InChIKeyVIIKRFMSAMRGSS-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.12
Rot. Bonds7

About N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine

N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine (PubChem CID 115200149) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
PubChem CID115200149
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
SMILESCOc1ccc(C)cc1CCNCC(C)(C)CN
InChIInChI=1S/C15H26N2O/c1-12-5-6-14(18-4)13(9-12)7-8-17-11-15(2,3)10-16/h5-6,9,17H,7-8,10-11,16H2,1-4H3
InChIKeyVIIKRFMSAMRGSS-UHFFFAOYSA-N
XLogP2.12
TPSA47.28 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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115261072
2-[2-(2-methoxy-5-methylphenyl)ethylamino]ethanethiol
CID 115224182
2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid
CID 115240818
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136113
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
methyl 3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoate
CID 115232481
methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
CID 106487848
N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115199991
4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306595
2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 8851253
3-hydroxy-4-[2-(2-methoxy-5-methylphenyl)ethylamino]butanoic acid
CID 115123097
N'-[2-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200140

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine (CID 115200149) is N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine is COc1ccc(C)cc1CCNCC(C)(C)CN.
What is the InChIKey of N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
The InChIKey is VIIKRFMSAMRGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-5-6-14(18-4)13(9-12)7-8-17-11-15(2,3)10-16/h5-6,9,17H,7-8,10-11,16H2,1-4H3.
What are the key properties of N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115200149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).