1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol

C17H28N2O2 — CID 64820472

IUPAC1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol
SMILESCOCCN(CC(O)(CN)c1ccccc1)C(C)C1CC1
InChIInChI=1S/C17H28N2O2/c1-14(15-8-9-15)19(10-11-21-2)13-17(20,12-18)16-6-4-3-5-7-16/h3-7,14-15,20H,8-13,18H2,1-2H3
InChIKeyOXJHEWBBPCHGFN-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.58
Rot. Bonds9

About 1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol

1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol (PubChem CID 64820472) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol
PubChem CID64820472
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol
SMILESCOCCN(CC(O)(CN)c1ccccc1)C(C)C1CC1
InChIInChI=1S/C17H28N2O2/c1-14(15-8-9-15)19(10-11-21-2)13-17(20,12-18)16-6-4-3-5-7-16/h3-7,14-15,20H,8-13,18H2,1-2H3
InChIKeyOXJHEWBBPCHGFN-UHFFFAOYSA-N
XLogP1.58
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol
CID 64822026
1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol
CID 64820243
1-amino-3-[cyclopropyl(2-methylpropyl)amino]-2-phenylpropan-2-ol
CID 64822024
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63815654
2-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 114879593
2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 55004124
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid
CID 82784856
2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid
CID 82960250
1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol
CID 64821841
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 81079207

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol (CID 64820472) is 1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol is COCCN(CC(O)(CN)c1ccccc1)C(C)C1CC1.
What is the InChIKey of 1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol?
The InChIKey is OXJHEWBBPCHGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(15-8-9-15)19(10-11-21-2)13-17(20,12-18)16-6-4-3-5-7-16/h3-7,14-15,20H,8-13,18H2,1-2H3.
What are the key properties of 1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol?
1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 64820472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).