(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol

C17H29NO — CID 14112556

IUPAC(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
SMILESCCCCN(CCCC)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H29NO/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/t15-,17+/m0/s1
InChIKeyBRRGNOFUBFINSX-DOTOQJQBSA-N
MW263.42 g/mol
LogP4.01
Rot. Bonds9

About (1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol

(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol (PubChem CID 14112556) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is (1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
PubChem CID14112556
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
SMILESCCCCN(CCCC)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H29NO/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/t15-,17+/m0/s1
InChIKeyBRRGNOFUBFINSX-DOTOQJQBSA-N
XLogP4.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546
(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride
CID 169438778
(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
3-[(1-hydroxy-1-phenylpropan-2-yl)-(3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 110176523
N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine
CID 91804581
(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol
CID 11064277

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol (CID 14112556) is (1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol is CCCCN(CCCC)[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol?
The InChIKey is BRRGNOFUBFINSX-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H29NO/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/t15-,17+/m0/s1.
What are the key properties of (1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol?
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 14112556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).