1-(benzylamino)octan-2-ol

C15H25NO — CID 71341698

IUPAC1-(benzylamino)octan-2-ol
SMILESCCCCCCC(O)CNCc1ccccc1
InChIInChI=1S/C15H25NO/c1-2-3-4-8-11-15(17)13-16-12-14-9-6-5-7-10-14/h5-7,9-10,15-17H,2-4,8,11-13H2,1H3
InChIKeyNTSCQTJMIXDYJO-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.11
Rot. Bonds9

About 1-(benzylamino)octan-2-ol

1-(benzylamino)octan-2-ol (PubChem CID 71341698) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(benzylamino)octan-2-ol.

Molecular Properties

Compound Name1-(benzylamino)octan-2-ol
PubChem CID71341698
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(benzylamino)octan-2-ol
SMILESCCCCCCC(O)CNCc1ccccc1
InChIInChI=1S/C15H25NO/c1-2-3-4-8-11-15(17)13-16-12-14-9-6-5-7-10-14/h5-7,9-10,15-17H,2-4,8,11-13H2,1H3
InChIKeyNTSCQTJMIXDYJO-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.11
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

(2S)-1-(benzylamino)dodecan-2-ol
CID 98082078
1-(benzylamino)decan-2-ol
CID 42614665
N-benzyl-2-methylicosan-1-amine
CID 67811057
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
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 1-(benzylamino)octan-2-ol?
The IUPAC name of 1-(benzylamino)octan-2-ol (CID 71341698) is 1-(benzylamino)octan-2-ol.
What is the SMILES notation for 1-(benzylamino)octan-2-ol?
The canonical SMILES for 1-(benzylamino)octan-2-ol is CCCCCCC(O)CNCc1ccccc1.
What is the InChIKey of 1-(benzylamino)octan-2-ol?
The InChIKey is NTSCQTJMIXDYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-3-4-8-11-15(17)13-16-12-14-9-6-5-7-10-14/h5-7,9-10,15-17H,2-4,8,11-13H2,1H3.
What are the key properties of 1-(benzylamino)octan-2-ol?
1-(benzylamino)octan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)octan-2-ol is sourced from PubChem (CID 71341698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).