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

C15H26N2O — CID 115199750

IUPAC1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine
SMILESCOc1ccccc1C(C)(C)CNCCC(C)N
InChIInChI=1S/C15H26N2O/c1-12(16)9-10-17-11-15(2,3)13-7-5-6-8-14(13)18-4/h5-8,12,17H,9-11,16H2,1-4H3
InChIKeyLQOVJIZGTNXDLM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.30
Rot. Bonds7

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

1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine (PubChem CID 115199750) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine
PubChem CID115199750
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine
SMILESCOc1ccccc1C(C)(C)CNCCC(C)N
InChIInChI=1S/C15H26N2O/c1-12(16)9-10-17-11-15(2,3)13-7-5-6-8-14(13)18-4/h5-8,12,17H,9-11,16H2,1-4H3
InChIKeyLQOVJIZGTNXDLM-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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

1-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]butane-1,3-diamine
CID 115199715
N'-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201630
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136375
N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine
CID 115198203
N'-cyclopropyl-N-[2-(2-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115207193
1-N-[2-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine
CID 115199716
1-(4-bromo-2-methylpentan-2-yl)-2-methoxybenzene
CID 64718135
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
N-ethyl-4-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 64718083
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115151861
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152834
1-N-(3-methoxy-2-nitrophenyl)butane-1,3-diamine
CID 113393164

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine?
The IUPAC name of 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine (CID 115199750) is 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine?
The canonical SMILES for 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine is COc1ccccc1C(C)(C)CNCCC(C)N.
What is the InChIKey of 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine?
The InChIKey is LQOVJIZGTNXDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(16)9-10-17-11-15(2,3)13-7-5-6-8-14(13)18-4/h5-8,12,17H,9-11,16H2,1-4H3.
What are the key properties of 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine?
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine is sourced from PubChem (CID 115199750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).