2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol

C14H23NO — CID 117111989

IUPAC2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(N)Cc1ccc(C(C)(C)CO)cc1
InChIInChI=1S/C14H23NO/c1-13(2,10-16)12-7-5-11(6-8-12)9-14(3,4)15/h5-8,16H,9-10,15H2,1-4H3
InChIKeyKGBBKCRTDLWEBB-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.24
Rot. Bonds4

About 2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol

2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol (PubChem CID 117111989) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol
PubChem CID117111989
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(N)Cc1ccc(C(C)(C)CO)cc1
InChIInChI=1S/C14H23NO/c1-13(2,10-16)12-7-5-11(6-8-12)9-14(3,4)15/h5-8,16H,9-10,15H2,1-4H3
InChIKeyKGBBKCRTDLWEBB-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117111875
2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol
CID 117111172
2-[4-[2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-yl]phenyl]-2-methylpropan-1-ol
CID 14440449
1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one
CID 117114960
2-(3,4-diaminophenyl)-2-methylpropan-1-ol
CID 144721361
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
[4-(2-amino-2-methylpropyl)phenyl]azanide;palladium
CID 87881678
2,2-bis[(4-tert-butylphenyl)methyl]propane-1,3-diol
CID 11057694
(2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol
CID 130627760
4-(2-amino-2-methylpropyl)-N,N-dimethylaniline
CID 3043620
2-amino-2-(4-ethylphenyl)propan-1-ol
CID 61054820
1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine
CID 82126382

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol (CID 117111989) is 2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol is CC(C)(N)Cc1ccc(C(C)(C)CO)cc1.
What is the InChIKey of 2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is KGBBKCRTDLWEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13(2,10-16)12-7-5-11(6-8-12)9-14(3,4)15/h5-8,16H,9-10,15H2,1-4H3.
What are the key properties of 2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol?
2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117111989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).