(2S)-1-(benzylamino)dodecan-2-ol

C19H33NO — CID 98082078

IUPAC(2S)-1-(benzylamino)dodecan-2-ol
SMILESCCCCCCCCCC[C@H](O)CNCc1ccccc1
InChIInChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-12-15-19(21)17-20-16-18-13-10-9-11-14-18/h9-11,13-14,19-21H,2-8,12,15-17H2,1H3/t19-/m0/s1
InChIKeyBINJYVBQAWLNCW-IBGZPJMESA-N
MW291.48 g/mol
LogP4.67
Rot. Bonds13

About (2S)-1-(benzylamino)dodecan-2-ol

(2S)-1-(benzylamino)dodecan-2-ol (PubChem CID 98082078) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (2S)-1-(benzylamino)dodecan-2-ol.

Molecular Properties

Compound Name(2S)-1-(benzylamino)dodecan-2-ol
PubChem CID98082078
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(2S)-1-(benzylamino)dodecan-2-ol
SMILESCCCCCCCCCC[C@H](O)CNCc1ccccc1
InChIInChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-12-15-19(21)17-20-16-18-13-10-9-11-14-18/h9-11,13-14,19-21H,2-8,12,15-17H2,1H3/t19-/m0/s1
InChIKeyBINJYVBQAWLNCW-IBGZPJMESA-N
XLogP4.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(benzylamino)octan-2-ol
CID 71341698
1-(benzylamino)decan-2-ol
CID 42614665
N-benzyl-2-methylicosan-1-amine
CID 67811057
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
4-amino-1-(benzylamino)butan-2-ol
CID 112511959
1-anilinoheptan-2-ol
CID 114998464
1-(ethylamino)octan-2-ol
CID 62774096
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
(Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol
CID 11326024

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzylamino)dodecan-2-ol?
The IUPAC name of (2S)-1-(benzylamino)dodecan-2-ol (CID 98082078) is (2S)-1-(benzylamino)dodecan-2-ol.
What is the SMILES notation for (2S)-1-(benzylamino)dodecan-2-ol?
The canonical SMILES for (2S)-1-(benzylamino)dodecan-2-ol is CCCCCCCCCC[C@H](O)CNCc1ccccc1.
What is the InChIKey of (2S)-1-(benzylamino)dodecan-2-ol?
The InChIKey is BINJYVBQAWLNCW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-12-15-19(21)17-20-16-18-13-10-9-11-14-18/h9-11,13-14,19-21H,2-8,12,15-17H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-1-(benzylamino)dodecan-2-ol?
(2S)-1-(benzylamino)dodecan-2-ol has a molecular weight of 291.48 g/mol, XLogP of 4.67, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzylamino)dodecan-2-ol is sourced from PubChem (CID 98082078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).