1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol

C16H25NO2 — CID 60724056

IUPAC1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
SMILESCC(C1CC1)N(C)CC(O)COCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-13(15-8-9-15)17(2)10-16(18)12-19-11-14-6-4-3-5-7-14/h3-7,13,15-16,18H,8-12H2,1-2H3
InChIKeyDAYQMPQQNXAAKM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.29
Rot. Bonds8

About 1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol

1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol (PubChem CID 60724056) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
PubChem CID60724056
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
SMILESCC(C1CC1)N(C)CC(O)COCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-13(15-8-9-15)17(2)10-16(18)12-19-11-14-6-4-3-5-7-14/h3-7,13,15-16,18H,8-12H2,1-2H3
InChIKeyDAYQMPQQNXAAKM-UHFFFAOYSA-N
XLogP2.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-cyclopropylethyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110884814
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857
(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
CID 798688
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
1-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-phenylmethoxypropan-2-ol
CID 115898094
4-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673100
1-[4-(aminomethyl)phenoxy]-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 43568840
N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 111781995
1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
CID 111333519
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220
1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24714099

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol (CID 60724056) is 1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol is CC(C1CC1)N(C)CC(O)COCc1ccccc1.
What is the InChIKey of 1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is DAYQMPQQNXAAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(15-8-9-15)17(2)10-16(18)12-19-11-14-6-4-3-5-7-14/h3-7,13,15-16,18H,8-12H2,1-2H3.
What are the key properties of 1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol?
1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 60724056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).