1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol

C18H30N2O2 — CID 3742716

IUPAC1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESCC(C)(C)N(Cc1ccccc1)CC(O)CN1CCOCC1
InChIInChI=1S/C18H30N2O2/c1-18(2,3)20(13-16-7-5-4-6-8-16)15-17(21)14-19-9-11-22-12-10-19/h4-8,17,21H,9-15H2,1-3H3
InChIKeyKYNHLBDMZBSNFI-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.98
Rot. Bonds6

About 1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol

1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 3742716) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID3742716
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESCC(C)(C)N(Cc1ccccc1)CC(O)CN1CCOCC1
InChIInChI=1S/C18H30N2O2/c1-18(2,3)20(13-16-7-5-4-6-8-16)15-17(21)14-19-9-11-22-12-10-19/h4-8,17,21H,9-15H2,1-3H3
InChIKeyKYNHLBDMZBSNFI-UHFFFAOYSA-N
XLogP1.98
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 42794999
1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916375
tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid
CID 175111015
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
1-[benzyl-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 46014400
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916427
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111799491
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylbenzenesulfonamide
CID 3133092
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 56570250
(2R)-1-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]-3-morpholin-4-ylpropan-2-ol
CID 124779951

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol (CID 3742716) is 1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol is CC(C)(C)N(Cc1ccccc1)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is KYNHLBDMZBSNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-18(2,3)20(13-16-7-5-4-6-8-16)15-17(21)14-19-9-11-22-12-10-19/h4-8,17,21H,9-15H2,1-3H3.
What are the key properties of 1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol?
1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 306.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 3742716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).