5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol

C14H23NO2 — CID 106121310

IUPAC5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
SMILESCOCC(NCCCC(C)O)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-12(16)7-6-10-15-14(11-17-2)13-8-4-3-5-9-13/h3-5,8-9,12,14-16H,6-7,10-11H2,1-2H3
InChIKeySNSGASUYHAMIIE-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.12
Rot. Bonds8

About 5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol

5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol (PubChem CID 106121310) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
PubChem CID106121310
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
SMILESCOCC(NCCCC(C)O)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-12(16)7-6-10-15-14(11-17-2)13-8-4-3-5-9-13/h3-5,8-9,12,14-16H,6-7,10-11H2,1-2H3
InChIKeySNSGASUYHAMIIE-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
CID 103913559
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine
CID 106209643
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol
CID 103913530
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
3-[(2-methoxy-1-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 103913617
2-(4-hydroxypentylamino)-2-phenylacetic acid
CID 106136977
N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine
CID 107234098
4-(1-phenylhexylamino)butan-2-ol
CID 64910713

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol?
The IUPAC name of 5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol (CID 106121310) is 5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol?
The canonical SMILES for 5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol is COCC(NCCCC(C)O)c1ccccc1.
What is the InChIKey of 5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol?
The InChIKey is SNSGASUYHAMIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(16)7-6-10-15-14(11-17-2)13-8-4-3-5-9-13/h3-5,8-9,12,14-16H,6-7,10-11H2,1-2H3.
What are the key properties of 5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol?
5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol is sourced from PubChem (CID 106121310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).