2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine

C15H26N2O — CID 61420505

IUPAC2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine
SMILESCOc1ccc(CN(C)C(CN)C(C)(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-15(2,3)14(10-16)17(4)11-12-6-8-13(18-5)9-7-12/h6-9,14H,10-11,16H2,1-5H3
InChIKeyHXJOCDDGZUFSQK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.50
Rot. Bonds5

About 2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine

2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine (PubChem CID 61420505) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine
PubChem CID61420505
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine
SMILESCOc1ccc(CN(C)C(CN)C(C)(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-15(2,3)14(10-16)17(4)11-12-6-8-13(18-5)9-7-12/h6-9,14H,10-11,16H2,1-5H3
InChIKeyHXJOCDDGZUFSQK-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420445
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599
2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 61324758
2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420508
1-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420556
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420601
N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine
CID 61419935
5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391759
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420412
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
CID 119680480
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269943
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine (CID 61420505) is 2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine is COc1ccc(CN(C)C(CN)C(C)(C)C)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine?
The InChIKey is HXJOCDDGZUFSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)14(10-16)17(4)11-12-6-8-13(18-5)9-7-12/h6-9,14H,10-11,16H2,1-5H3.
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine?
2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 61420505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).