(2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol

C26H40N2O — CID 11741478

IUPAC(2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol
SMILESCCCCCCCCCCCCN(Cc1ccccn1)[C@H](CO)c1ccccc1
InChIInChI=1S/C26H40N2O/c1-2-3-4-5-6-7-8-9-10-16-21-28(22-25-19-14-15-20-27-25)26(23-29)24-17-12-11-13-18-24/h11-15,17-20,26,29H,2-10,16,21-23H2,1H3/t26-/m1/s1
InChIKeyYLRZAICFPZLEBO-AREMUKBSSA-N
MW396.62 g/mol
LogP6.54
Rot. Bonds16

About (2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol

(2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol (PubChem CID 11741478) has the molecular formula C26H40N2O and a molecular weight of 396.62 g/mol. Its IUPAC name is (2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol
PubChem CID11741478
Molecular FormulaC26H40N2O
Molecular Weight396.62 g/mol
Exact Mass396.31
IUPAC Name(2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol
SMILESCCCCCCCCCCCCN(Cc1ccccn1)[C@H](CO)c1ccccc1
InChIInChI=1S/C26H40N2O/c1-2-3-4-5-6-7-8-9-10-16-21-28(22-25-19-14-15-20-27-25)26(23-29)24-17-12-11-13-18-24/h11-15,17-20,26,29H,2-10,16,21-23H2,1H3/t26-/m1/s1
InChIKeyYLRZAICFPZLEBO-AREMUKBSSA-N
XLogP6.54
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid
CID 101244047
(E)-N-octadecyl-N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 66810162
N-pentyl-N-(pyridin-2-ylmethyl)acetamide
CID 46206176
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine
CID 91282889
2-undecylpyridine
CID 66882765
1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 70142238
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
undecyl 8-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(8-oxo-8-undecoxyoctyl)amino]octanoate
CID 177302508
2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol (CID 11741478) is (2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol is CCCCCCCCCCCCN(Cc1ccccn1)[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol?
The InChIKey is YLRZAICFPZLEBO-AREMUKBSSA-N. The full InChI is InChI=1S/C26H40N2O/c1-2-3-4-5-6-7-8-9-10-16-21-28(22-25-19-14-15-20-27-25)26(23-29)24-17-12-11-13-18-24/h11-15,17-20,26,29H,2-10,16,21-23H2,1H3/t26-/m1/s1.
What are the key properties of (2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol?
(2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol has a molecular weight of 396.62 g/mol, XLogP of 6.54, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol is sourced from PubChem (CID 11741478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).