N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine

C15H26N2O — CID 62554288

IUPACN'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCOc1ccc(N(C)CCNCCC(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-13(2)9-10-16-11-12-17(3)14-5-7-15(18-4)8-6-14/h5-8,13,16H,9-12H2,1-4H3
InChIKeyRWZHBCCYNFZEAC-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.77
Rot. Bonds8

About N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine

N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine (PubChem CID 62554288) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
PubChem CID62554288
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCOc1ccc(N(C)CCNCCC(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-13(2)9-10-16-11-12-17(3)14-5-7-15(18-4)8-6-14/h5-8,13,16H,9-12H2,1-4H3
InChIKeyRWZHBCCYNFZEAC-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62573488
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62553778
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62562567
N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline
CID 66224043
N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide
CID 56919929
N'-(4-methoxyphenyl)-N'-methyl-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62553661
N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62554647
4-(4-methoxy-N-methylanilino)-2-methylbutanoic acid
CID 115220604
1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine
CID 106799672
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62574597
3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline
CID 60588106
2-(3-methylbutylamino)ethyl 4-methoxybenzoate
CID 82532040

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine (CID 62554288) is N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine is COc1ccc(N(C)CCNCCC(C)C)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is RWZHBCCYNFZEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(2)9-10-16-11-12-17(3)14-5-7-15(18-4)8-6-14/h5-8,13,16H,9-12H2,1-4H3.
What are the key properties of N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine?
N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 62554288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).