2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine

C15H26N2O — CID 55139466

IUPAC2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
SMILESCCN(Cc1ccc(OC)cc1)C(C)(CC)CN
InChIInChI=1S/C15H26N2O/c1-5-15(3,12-16)17(6-2)11-13-7-9-14(18-4)10-8-13/h7-10H,5-6,11-12,16H2,1-4H3
InChIKeyGWTAKGPYMWSRLH-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.64
Rot. Bonds7

About 2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine

2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine (PubChem CID 55139466) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
PubChem CID55139466
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
SMILESCCN(Cc1ccc(OC)cc1)C(C)(CC)CN
InChIInChI=1S/C15H26N2O/c1-5-15(3,12-16)17(6-2)11-13-7-9-14(18-4)10-8-13/h7-10H,5-6,11-12,16H2,1-4H3
InChIKeyGWTAKGPYMWSRLH-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine
CID 62009172
N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 146018467
2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine
CID 54878009
2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine
CID 84752655
2-methyl-2-N-[(4-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62010396
2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 104791386
2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine
CID 103172092
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
CID 119680480
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115426364

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine (CID 55139466) is 2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine is CCN(Cc1ccc(OC)cc1)C(C)(CC)CN.
What is the InChIKey of 2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine?
The InChIKey is GWTAKGPYMWSRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-15(3,12-16)17(6-2)11-13-7-9-14(18-4)10-8-13/h7-10H,5-6,11-12,16H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine?
2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine is sourced from PubChem (CID 55139466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).