2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol

C19H27NO — CID 20647670

IUPAC2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol
SMILESCC1=CC=C(C(C)(NC(O)C(C)(C)C)c2ccccc2)C1
InChIInChI=1S/C19H27NO/c1-14-11-12-16(13-14)19(5,15-9-7-6-8-10-15)20-17(21)18(2,3)4/h6-12,17,20-21H,13H2,1-5H3
InChIKeyPKWGODNZIUPGKS-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.13
Rot. Bonds4

About 2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol

2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol (PubChem CID 20647670) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol
PubChem CID20647670
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol
SMILESCC1=CC=C(C(C)(NC(O)C(C)(C)C)c2ccccc2)C1
InChIInChI=1S/C19H27NO/c1-14-11-12-16(13-14)19(5,15-9-7-6-8-10-15)20-17(21)18(2,3)4/h6-12,17,20-21H,13H2,1-5H3
InChIKeyPKWGODNZIUPGKS-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol with MolForge

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Related Compounds

1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol
CID 66466095
2,4-dimethyl-2-phenyl(313C)pentan-3-ol
CID 12036606
5,5-dimethyl-1,1-diphenylhex-2-yne-1,4-diol
CID 71489134
(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
CID 89263226
3-amino-4,4-diphenylpentan-2-ol
CID 18533371
(1S,2R)-3-methyl-1-(2-methylphenyl)-1-phenylbutane-1,2-diol
CID 131848491
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
1-(methylamino)-1,1-diphenylpropan-2-ol
CID 139632389
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
CID 101412286
2-phenylpropan-2-ylcarbamic acid
CID 23445609
(1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid
CID 154356432

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol (CID 20647670) is 2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol is CC1=CC=C(C(C)(NC(O)C(C)(C)C)c2ccccc2)C1.
What is the InChIKey of 2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol?
The InChIKey is PKWGODNZIUPGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-14-11-12-16(13-14)19(5,15-9-7-6-8-10-15)20-17(21)18(2,3)4/h6-12,17,20-21H,13H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol?
2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[[1-(4-methylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]amino]propan-1-ol is sourced from PubChem (CID 20647670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).