N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine

C15H26N2O — CID 115198203

IUPACN'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCC(C)(C)c1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-15(2,12-17-11-7-10-16-3)13-8-5-6-9-14(13)18-4/h5-6,8-9,16-17H,7,10-12H2,1-4H3
InChIKeySIEVRSVUNITKNM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds8

About N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine

N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine (PubChem CID 115198203) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine
PubChem CID115198203
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCC(C)(C)c1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-15(2,12-17-11-7-10-16-3)13-8-5-6-9-14(13)18-4/h5-6,8-9,16-17H,7,10-12H2,1-4H3
InChIKeySIEVRSVUNITKNM-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
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'-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201630
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine
CID 115199750
N'-cyclopropyl-N-[2-(2-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115207193
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136375
N'-[2-(3,4-dimethylphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine
CID 115198160
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propane-1-thiol
CID 115225320
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115151861
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152834
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115216039

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine (CID 115198203) is N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine is CNCCCNCC(C)(C)c1ccccc1OC.
What is the InChIKey of N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine?
The InChIKey is SIEVRSVUNITKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,12-17-11-7-10-16-3)13-8-5-6-9-14(13)18-4/h5-6,8-9,16-17H,7,10-12H2,1-4H3.
What are the key properties of N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine?
N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 115198203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).