(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride

C17H30ClNO — CID 169438778

IUPAC(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride
SMILESCCCCN(CCCC)[C@@H](C)[C@H](O)c1ccccc1.Cl
InChIInChI=1S/C17H29NO.ClH/c1-4-6-13-18(14-7-5-2)15(3)17(19)16-11-9-8-10-12-16;/h8-12,15,17,19H,4-7,13-14H2,1-3H3;1H/t15-,17-;/m0./s1
InChIKeyRGWRLUHFUIHNCG-NBLXOJGSSA-N
MW299.89 g/mol
LogP4.43
Rot. Bonds9

About (1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride

(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride (PubChem CID 169438778) has the molecular formula C17H30ClNO and a molecular weight of 299.89 g/mol. Its IUPAC name is (1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride
PubChem CID169438778
Molecular FormulaC17H30ClNO
Molecular Weight299.89 g/mol
Exact Mass299.20
IUPAC Name(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride
SMILESCCCCN(CCCC)[C@@H](C)[C@H](O)c1ccccc1.Cl
InChIInChI=1S/C17H29NO.ClH/c1-4-6-13-18(14-7-5-2)15(3)17(19)16-11-9-8-10-12-16;/h8-12,15,17,19H,4-7,13-14H2,1-3H3;1H/t15-,17-;/m0./s1
InChIKeyRGWRLUHFUIHNCG-NBLXOJGSSA-N
XLogP4.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.89
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556
(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride
CID 138400764
(1R,2R)-1-(4-chlorophenyl)-2-(dioctylamino)propan-1-ol
CID 98129728
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
3-[(1-hydroxy-1-phenylpropan-2-yl)-(3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 110176523

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of (1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride (CID 169438778) is (1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for (1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride is CCCCN(CCCC)[C@@H](C)[C@H](O)c1ccccc1.Cl.
What is the InChIKey of (1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is RGWRLUHFUIHNCG-NBLXOJGSSA-N. The full InChI is InChI=1S/C17H29NO.ClH/c1-4-6-13-18(14-7-5-2)15(3)17(19)16-11-9-8-10-12-16;/h8-12,15,17,19H,4-7,13-14H2,1-3H3;1H/t15-,17-;/m0./s1.
What are the key properties of (1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride?
(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 299.89 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 169438778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).