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

C15H26N2O — CID 115201118

IUPACN'-(2-methoxy-4-propan-2-ylphenyl)-N'-methylbutane-1,4-diamine
SMILESCOc1cc(C(C)C)ccc1N(C)CCCCN
InChIInChI=1S/C15H26N2O/c1-12(2)13-7-8-14(15(11-13)18-4)17(3)10-6-5-9-16/h7-8,11-12H,5-6,9-10,16H2,1-4H3
InChIKeyWOPDXNMYURCVJN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.99
Rot. Bonds7

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 115201118) 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 CID115201118
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-(2-methoxy-4-propan-2-ylphenyl)-N'-methylbutane-1,4-diamine
SMILESCOc1cc(C(C)C)ccc1N(C)CCCCN
InChIInChI=1S/C15H26N2O/c1-12(2)13-7-8-14(15(11-13)18-4)17(3)10-6-5-9-16/h7-8,11-12H,5-6,9-10,16H2,1-4H3
InChIKeyWOPDXNMYURCVJN-UHFFFAOYSA-N
XLogP2.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine
CID 94264285
N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 98784055
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde
CID 115222785
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004
2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
CID 70881827
2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide
CID 115179737
2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208694
N'-(3-bromo-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 115201089
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62682391
2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112508878
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile
CID 115129156
N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 115201080

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 115201118) 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 COc1cc(C(C)C)ccc1N(C)CCCCN.
What is the InChIKey of N'-(2-methoxy-4-propan-2-ylphenyl)-N'-methylbutane-1,4-diamine?
The InChIKey is WOPDXNMYURCVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)13-7-8-14(15(11-13)18-4)17(3)10-6-5-9-16/h7-8,11-12H,5-6,9-10,16H2,1-4H3.
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 2.99, 7 rotatable bonds, 1 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 115201118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).