1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol

C17H28N2O2 — CID 105416659

IUPAC1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol
SMILESCN(C)C1(CNCC(O)COCc2ccccc2)CCC1
InChIInChI=1S/C17H28N2O2/c1-19(2)17(9-6-10-17)14-18-11-16(20)13-21-12-15-7-4-3-5-8-15/h3-5,7-8,16,18,20H,6,9-14H2,1-2H3
InChIKeyIHYFNWIRGPPPJY-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.64
Rot. Bonds9

About 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol

1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol (PubChem CID 105416659) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol
PubChem CID105416659
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol
SMILESCN(C)C1(CNCC(O)COCc2ccccc2)CCC1
InChIInChI=1S/C17H28N2O2/c1-19(2)17(9-6-10-17)14-18-11-16(20)13-21-12-15-7-4-3-5-8-15/h3-5,7-8,16,18,20H,6,9-14H2,1-2H3
InChIKeyIHYFNWIRGPPPJY-UHFFFAOYSA-N
XLogP1.64
TPSA44.73 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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol
CID 81133438
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol
CID 62516876
1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol
CID 107263150
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
(2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol
CID 83120398
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol (CID 105416659) is 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol is CN(C)C1(CNCC(O)COCc2ccccc2)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol?
The InChIKey is IHYFNWIRGPPPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-19(2)17(9-6-10-17)14-18-11-16(20)13-21-12-15-7-4-3-5-8-15/h3-5,7-8,16,18,20H,6,9-14H2,1-2H3.
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol?
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 105416659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).