N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine

C15H26N2O — CID 115201631

IUPACN'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
SMILESCOc1cccc(C(C)(C)CNCCCCN)c1
InChIInChI=1S/C15H26N2O/c1-15(2,12-17-10-5-4-9-16)13-7-6-8-14(11-13)18-3/h6-8,11,17H,4-5,9-10,12,16H2,1-3H3
InChIKeyARSCJUUQYJPJOU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.30
Rot. Bonds8

About N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine

N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine (PubChem CID 115201631) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
PubChem CID115201631
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
SMILESCOc1cccc(C(C)(C)CNCCCCN)c1
InChIInChI=1S/C15H26N2O/c1-15(2,12-17-10-5-4-9-16)13-7-6-8-14(11-13)18-3/h6-8,11,17H,4-5,9-10,12,16H2,1-3H3
InChIKeyARSCJUUQYJPJOU-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 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 ≤ 52.30
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

N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198963
3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135089
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197549
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
N'-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201630
[2-(3-methoxyphenyl)-2-methylpropyl]carbamothioic S-acid
CID 115170588
3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine
CID 94684684
5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid
CID 117049749
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
CID 115117745
4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol
CID 115217984
N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115195585

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine?
The IUPAC name of N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine (CID 115201631) is N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine.
What is the SMILES notation for N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine?
The canonical SMILES for N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine is COc1cccc(C(C)(C)CNCCCCN)c1.
What is the InChIKey of N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine?
The InChIKey is ARSCJUUQYJPJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,12-17-10-5-4-9-16)13-7-6-8-14(11-13)18-3/h6-8,11,17H,4-5,9-10,12,16H2,1-3H3.
What are the key properties of N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine?
N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine is sourced from PubChem (CID 115201631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).