3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol

C15H23NO2 — CID 62624580

IUPAC3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)CCN(CCO)C1CC1
InChIInChI=1S/C15H23NO2/c1-12-4-2-3-5-14(12)15(18)8-9-16(10-11-17)13-6-7-13/h2-5,13,15,17-18H,6-11H2,1H3
InChIKeySBDYPTTXFKHTPM-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.88
Rot. Bonds7

About 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol

3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol (PubChem CID 62624580) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
PubChem CID62624580
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)CCN(CCO)C1CC1
InChIInChI=1S/C15H23NO2/c1-12-4-2-3-5-14(12)15(18)8-9-16(10-11-17)13-6-7-13/h2-5,13,15,17-18H,6-11H2,1H3
InChIKeySBDYPTTXFKHTPM-UHFFFAOYSA-N
XLogP1.88
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62625075
2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol
CID 62631147
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 55099405
N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 55098071
3-[methyl(oxolan-3-yl)amino]-1-(2-methylphenyl)propan-1-ol
CID 82754684
1-(2-methylphenyl)-3-[methyl(thiolan-3-yl)amino]propan-1-ol
CID 62624374
1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol
CID 64520874
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 107487245
3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624909
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 64521861
1-(4-chlorophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62629823
3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63010100

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol (CID 62624580) is 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(O)CCN(CCO)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The InChIKey is SBDYPTTXFKHTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-4-2-3-5-14(12)15(18)8-9-16(10-11-17)13-6-7-13/h2-5,13,15,17-18H,6-11H2,1H3.
What are the key properties of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol?
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 62624580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).