1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol

C14H23NO — CID 117111965

IUPAC1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol
SMILESCC(C)(N)Cc1cccc(CC(C)(C)O)c1
InChIInChI=1S/C14H23NO/c1-13(2,15)9-11-6-5-7-12(8-11)10-14(3,4)16/h5-8,16H,9-10,15H2,1-4H3
InChIKeyQPQHUOAHRLVNMX-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.28
Rot. Bonds4

About 1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol

1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol (PubChem CID 117111965) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol
PubChem CID117111965
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol
SMILESCC(C)(N)Cc1cccc(CC(C)(C)O)c1
InChIInChI=1S/C14H23NO/c1-13(2,15)9-11-6-5-7-12(8-11)10-14(3,4)16/h5-8,16H,9-10,15H2,1-4H3
InChIKeyQPQHUOAHRLVNMX-UHFFFAOYSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine
CID 117111966
1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117284060
1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol
CID 117111973
[3-(2-hydroxy-2-methylpropyl)phenyl]boronic acid
CID 67171669
[3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride
CID 117117239
1-[3-(2-amino-2-methylpropyl)phenyl]ethane-1,2-diol
CID 117299109
2-methyl-1-(3-methylsulfonylphenyl)propan-2-amine
CID 82618444
1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea
CID 117316808
2-methyl-1-(3-nitrophenyl)propan-2-amine
CID 65015484
2-[3-(2-hydroxy-2-methylpropyl)phenyl]-2-oxoacetic acid
CID 117109001
2-methyl-1-phenylpropan-2-amine;sulfuric acid
CID 174984746
1-[3-(2-amino-2-phenylpropyl)phenyl]-2-phenylpropan-2-amine
CID 175440072

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol (CID 117111965) is 1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol is CC(C)(N)Cc1cccc(CC(C)(C)O)c1.
What is the InChIKey of 1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol?
The InChIKey is QPQHUOAHRLVNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13(2,15)9-11-6-5-7-12(8-11)10-14(3,4)16/h5-8,16H,9-10,15H2,1-4H3.
What are the key properties of 1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol?
1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 117111965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).