2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine

C15H26N2O — CID 55129264

IUPAC2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)CCc1ccccc1
InChIInChI=1S/C15H26N2O/c1-13(12-18-3)17(2)15(11-16)10-9-14-7-5-4-6-8-14/h4-8,13,15H,9-12,16H2,1-3H3
InChIKeyVWZKZMOSXMFPHE-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.91
Rot. Bonds8

About 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine

2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine (PubChem CID 55129264) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine
PubChem CID55129264
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)CCc1ccccc1
InChIInChI=1S/C15H26N2O/c1-13(12-18-3)17(2)15(11-16)10-9-14-7-5-4-6-8-14/h4-8,13,15H,9-12,16H2,1-3H3
InChIKeyVWZKZMOSXMFPHE-UHFFFAOYSA-N
XLogP1.91
TPSA38.49 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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine
CID 62881786
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 103188024
2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 131068415
4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol
CID 82981678
2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 62880739
2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine
CID 60709793
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 63473262
2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine
CID 62879729
2-N-methyl-4-phenyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62880068
N,N,4-trimethyl-1-phenylhexan-3-amine
CID 54141645
2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine
CID 63879251
N,N-dimethyl-5-phenylpentan-2-amine
CID 12951765

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine (CID 55129264) is 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine is COCC(C)N(C)C(CN)CCc1ccccc1.
What is the InChIKey of 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine?
The InChIKey is VWZKZMOSXMFPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(12-18-3)17(2)15(11-16)10-9-14-7-5-4-6-8-14/h4-8,13,15H,9-12,16H2,1-3H3.
What are the key properties of 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine?
2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 55129264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).