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

C17H30N2O2 — CID 62881786

IUPAC2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine
SMILESCOCCN(C(C)COC)C(CN)CCc1ccccc1
InChIInChI=1S/C17H30N2O2/c1-15(14-21-3)19(11-12-20-2)17(13-18)10-9-16-7-5-4-6-8-16/h4-8,15,17H,9-14,18H2,1-3H3
InChIKeyIHZICQHCSQUJNC-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.93
Rot. Bonds11

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

2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine (PubChem CID 62881786) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine
PubChem CID62881786
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine
SMILESCOCCN(C(C)COC)C(CN)CCc1ccccc1
InChIInChI=1S/C17H30N2O2/c1-15(14-21-3)19(11-12-20-2)17(13-18)10-9-16-7-5-4-6-8-16/h4-8,15,17H,9-14,18H2,1-3H3
InChIKeyIHZICQHCSQUJNC-UHFFFAOYSA-N
XLogP1.93
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 55129264
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 103188024
2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 62880739
2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 131068415
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide
CID 66432620
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine
CID 60709793
(2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine
CID 125479389
2-methoxyethylbenzene
CID 19089
3-amino-2-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 104710921
2-benzyl-2-N-ethyl-2-N-(1-methoxypropan-2-yl)butane-1,2-diamine
CID 79008492

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine (CID 62881786) is 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine is COCCN(C(C)COC)C(CN)CCc1ccccc1.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine?
The InChIKey is IHZICQHCSQUJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-15(14-21-3)19(11-12-20-2)17(13-18)10-9-16-7-5-4-6-8-16/h4-8,15,17H,9-14,18H2,1-3H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine?
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine has a molecular weight of 294.44 g/mol, XLogP of 1.93, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 62881786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).