2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol

C17H27NO3 — CID 116695403

IUPAC2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol
SMILESCOCC(C)OCCC(CO)(NC1CC1)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-14(12-20-2)21-11-10-17(13-19,18-16-8-9-16)15-6-4-3-5-7-15/h3-7,14,16,18-19H,8-13H2,1-2H3
InChIKeyRANQAPDPFZRERJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.07
Rot. Bonds10

About 2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol

2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol (PubChem CID 116695403) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol
PubChem CID116695403
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol
SMILESCOCC(C)OCCC(CO)(NC1CC1)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-14(12-20-2)21-11-10-17(13-19,18-16-8-9-16)15-6-4-3-5-7-15/h3-7,14,16,18-19H,8-13H2,1-2H3
InChIKeyRANQAPDPFZRERJ-UHFFFAOYSA-N
XLogP2.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol
CID 116695566
2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 103491096
2-(ethylamino)-3-(1-methoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 64811608
2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol
CID 116695088
4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695550
2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol
CID 102988159
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol
CID 116695124
3-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64820406
3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64809912
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241
3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64808007
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol
CID 106990619

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol (CID 116695403) is 2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol is COCC(C)OCCC(CO)(NC1CC1)c1ccccc1.
What is the InChIKey of 2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol?
The InChIKey is RANQAPDPFZRERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-14(12-20-2)21-11-10-17(13-19,18-16-8-9-16)15-6-4-3-5-7-15/h3-7,14,16,18-19H,8-13H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol?
2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).