1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol

C16H25NO2 — CID 115591857

IUPAC1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
SMILESCC(CNCC(O)COCc1ccccc1)C1CC1
InChIInChI=1S/C16H25NO2/c1-13(15-7-8-15)9-17-10-16(18)12-19-11-14-5-3-2-4-6-14/h2-6,13,15-18H,7-12H2,1H3
InChIKeySNDSPKMWZHSMOB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.20
Rot. Bonds9

About 1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol

1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol (PubChem CID 115591857) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
PubChem CID115591857
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
SMILESCC(CNCC(O)COCc1ccccc1)C1CC1
InChIInChI=1S/C16H25NO2/c1-13(15-7-8-15)9-17-10-16(18)12-19-11-14-5-3-2-4-6-14/h2-6,13,15-18H,7-12H2,1H3
InChIKeySNDSPKMWZHSMOB-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 60724056
1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol
CID 63995731
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
1-(cyclopentyloxyamino)-3-phenylmethoxypropan-2-ol
CID 83229084
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol
CID 105416659
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol (CID 115591857) is 1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol is CC(CNCC(O)COCc1ccccc1)C1CC1.
What is the InChIKey of 1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol?
The InChIKey is SNDSPKMWZHSMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(15-7-8-15)9-17-10-16(18)12-19-11-14-5-3-2-4-6-14/h2-6,13,15-18H,7-12H2,1H3.
What are the key properties of 1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol?
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 115591857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).