1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol

C19H32N2O2 — CID 24714634

IUPAC1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol
SMILESCCCC(O)CN(CCN1CCOCC1)Cc1cccc(C)c1
InChIInChI=1S/C19H32N2O2/c1-3-5-19(22)16-21(9-8-20-10-12-23-13-11-20)15-18-7-4-6-17(2)14-18/h4,6-7,14,19,22H,3,5,8-13,15-16H2,1-2H3
InChIKeyAQBFBSRTYOJHTO-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.29
Rot. Bonds9

About 1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol

1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol (PubChem CID 24714634) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol
PubChem CID24714634
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol
SMILESCCCC(O)CN(CCN1CCOCC1)Cc1cccc(C)c1
InChIInChI=1S/C19H32N2O2/c1-3-5-19(22)16-21(9-8-20-10-12-23-13-11-20)15-18-7-4-6-17(2)14-18/h4,6-7,14,19,22H,3,5,8-13,15-16H2,1-2H3
InChIKeyAQBFBSRTYOJHTO-UHFFFAOYSA-N
XLogP2.29
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylpropan-2-ol
CID 93162213
(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93162210
(2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
CID 93162217
1-[(3-methylphenyl)methyl-propylamino]pentan-2-ol
CID 46007418
(2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 93163691
(2S)-1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]hex-5-en-2-ol
CID 93160809
(2S)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]butan-2-ol
CID 93163155
1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 110670134
1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 46006818
1-[(4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46007586
(2R)-1-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164054
N-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 110670105

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol?
The IUPAC name of 1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol (CID 24714634) is 1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol?
The canonical SMILES for 1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol is CCCC(O)CN(CCN1CCOCC1)Cc1cccc(C)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol?
The InChIKey is AQBFBSRTYOJHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-3-5-19(22)16-21(9-8-20-10-12-23-13-11-20)15-18-7-4-6-17(2)14-18/h4,6-7,14,19,22H,3,5,8-13,15-16H2,1-2H3.
What are the key properties of 1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol?
1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol has a molecular weight of 320.48 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol is sourced from PubChem (CID 24714634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).