1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol

C14H21NO2 — CID 62397928

IUPAC1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNC2CC2C)cc1
InChIInChI=1S/C14H21NO2/c1-10-3-5-13(6-4-10)17-9-12(16)8-15-14-7-11(14)2/h3-6,11-12,14-16H,7-9H2,1-2H3
InChIKeyNRLBRSTXSOPAKC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.73
Rot. Bonds6

About 1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol

1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 62397928) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol
PubChem CID62397928
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNC2CC2C)cc1
InChIInChI=1S/C14H21NO2/c1-10-3-5-13(6-4-10)17-9-12(16)8-15-14-7-11(14)2/h3-6,11-12,14-16H,7-9H2,1-2H3
InChIKeyNRLBRSTXSOPAKC-UHFFFAOYSA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63995480
1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 113467204
1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
CID 122714533
(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 92520942
1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632582
1-[(2,2-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 79870605
1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
CID 54938847
1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278408
1-[(1,1-dioxothian-3-yl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63924316
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[4-[4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]phenyl]sulfonylphenoxy]-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 19133379

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol (CID 62397928) is 1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OCC(O)CNC2CC2C)cc1.
What is the InChIKey of 1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is NRLBRSTXSOPAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-3-5-13(6-4-10)17-9-12(16)8-15-14-7-11(14)2/h3-6,11-12,14-16H,7-9H2,1-2H3.
What are the key properties of 1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol?
1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 62397928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).