2-(benzylamino)-4-methoxy-4-methylpentan-1-ol

C14H23NO2 — CID 106676174

IUPAC2-(benzylamino)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CC(CO)NCc1ccccc1
InChIInChI=1S/C14H23NO2/c1-14(2,17-3)9-13(11-16)15-10-12-7-5-4-6-8-12/h4-8,13,15-16H,9-11H2,1-3H3
InChIKeyQFSPGRMWDZNLMA-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.95
Rot. Bonds7

About 2-(benzylamino)-4-methoxy-4-methylpentan-1-ol

2-(benzylamino)-4-methoxy-4-methylpentan-1-ol (PubChem CID 106676174) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(benzylamino)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-4-methoxy-4-methylpentan-1-ol
PubChem CID106676174
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(benzylamino)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CC(CO)NCc1ccccc1
InChIInChI=1S/C14H23NO2/c1-14(2,17-3)9-13(11-16)15-10-12-7-5-4-6-8-12/h4-8,13,15-16H,9-11H2,1-3H3
InChIKeyQFSPGRMWDZNLMA-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzylethanolamine
CID 4348
2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
2-(Benzylamino)propan-1-ol
CID 138873
(R)-2-(benzylamino)butan-1-ol
CID 927306
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
Ethanol, 2-(alpha-methylphenethyl)amino-
CID 45446
3-(Benzylamino)propanol
CID 78448
N-Benzyl-L-alaninol
CID 5356540
1-(Benzylamino)-2-methylpropan-2-ol
CID 12896476
1-(Benzylamino)propan-2-ol
CID 97731
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
(+)-cis-2-Benzylaminocyclohexanemethanol
CID 853687

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 2-(benzylamino)-4-methoxy-4-methylpentan-1-ol (CID 106676174) is 2-(benzylamino)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 2-(benzylamino)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 2-(benzylamino)-4-methoxy-4-methylpentan-1-ol is COC(C)(C)CC(CO)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is QFSPGRMWDZNLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,17-3)9-13(11-16)15-10-12-7-5-4-6-8-12/h4-8,13,15-16H,9-11H2,1-3H3.
What are the key properties of 2-(benzylamino)-4-methoxy-4-methylpentan-1-ol?
2-(benzylamino)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 106676174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).