N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine

C15H26N2O — CID 115201692

IUPACN'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine
SMILESCNCCCCNc1ccc(C(C)C)cc1OC
InChIInChI=1S/C15H26N2O/c1-12(2)13-7-8-14(15(11-13)18-4)17-10-6-5-9-16-3/h7-8,11-12,16-17H,5-6,9-10H2,1-4H3
InChIKeyQWHNPDPFPQOGQA-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.23
Rot. Bonds8

About N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine

N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine (PubChem CID 115201692) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine
PubChem CID115201692
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine
SMILESCNCCCCNc1ccc(C(C)C)cc1OC
InChIInChI=1S/C15H26N2O/c1-12(2)13-7-8-14(15(11-13)18-4)17-10-6-5-9-16-3/h7-8,11-12,16-17H,5-6,9-10H2,1-4H3
InChIKeyQWHNPDPFPQOGQA-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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

(2-methoxy-4-propan-2-ylanilino)methanethiol
CID 115227622
4-(2-methoxy-4-propan-2-ylanilino)-2-methylbutanoic acid
CID 115220531
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197846
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
N-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 115197735
2,4-dimethoxy-N-pentylaniline
CID 28570496
3-(2-methoxy-4-propan-2-ylanilino)-2,2-dimethylpropanoic acid
CID 115136415
1-[(2-methoxy-4-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242735
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
N-(2-methoxy-4-propan-2-ylphenyl)propanamide
CID 110777573
N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 98784055
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine?
The IUPAC name of N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine (CID 115201692) is N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine?
The canonical SMILES for N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine is CNCCCCNc1ccc(C(C)C)cc1OC.
What is the InChIKey of N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine?
The InChIKey is QWHNPDPFPQOGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)13-7-8-14(15(11-13)18-4)17-10-6-5-9-16-3/h7-8,11-12,16-17H,5-6,9-10H2,1-4H3.
What are the key properties of N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine?
N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine is sourced from PubChem (CID 115201692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).