2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol

C16H25NO2 — CID 64802296

IUPAC2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol
SMILESCc1cccc(OC(C)CC(C)(CO)NC2CC2)c1
InChIInChI=1S/C16H25NO2/c1-12-5-4-6-15(9-12)19-13(2)10-16(3,11-18)17-14-7-8-14/h4-6,9,13-14,17-18H,7-8,10-11H2,1-3H3
InChIKeySXGJVYSAIISBRF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.66
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol

2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol (PubChem CID 64802296) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol
PubChem CID64802296
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol
SMILESCc1cccc(OC(C)CC(C)(CO)NC2CC2)c1
InChIInChI=1S/C16H25NO2/c1-12-5-4-6-15(9-12)19-13(2)10-16(3,11-18)17-14-7-8-14/h4-6,9,13-14,17-18H,7-8,10-11H2,1-3H3
InChIKeySXGJVYSAIISBRF-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol
CID 64802099
2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol
CID 64802459
2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol
CID 64802097
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
2-(cyclopropylamino)-2-methyl-4-phenoxypentanamide
CID 64706033
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile
CID 64726650
2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
CID 64826466
4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64804347
2-[2-(3-methylphenoxy)propyl]piperidine
CID 105493585
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate
CID 63919019
2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
CID 64808531
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol (CID 64802296) is 2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol is Cc1cccc(OC(C)CC(C)(CO)NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol?
The InChIKey is SXGJVYSAIISBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-5-4-6-15(9-12)19-13(2)10-16(3,11-18)17-14-7-8-14/h4-6,9,13-14,17-18H,7-8,10-11H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol?
2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol is sourced from PubChem (CID 64802296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).