[2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol

C12H19NO — CID 130665591

IUPAC[2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol
SMILESCc1cccc(CO)c1[C@H](N)C(C)C
InChIInChI=1S/C12H19NO/c1-8(2)12(13)11-9(3)5-4-6-10(11)7-14/h4-6,8,12,14H,7,13H2,1-3H3/t12-/m1/s1
InChIKeyDTDMDKPEKVPPRF-GFCCVEGCSA-N
MW193.29 g/mol
LogP2.14
Rot. Bonds3

About [2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol

[2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol (PubChem CID 130665591) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol
PubChem CID130665591
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol
SMILESCc1cccc(CO)c1[C@H](N)C(C)C
InChIInChI=1S/C12H19NO/c1-8(2)12(13)11-9(3)5-4-6-10(11)7-14/h4-6,8,12,14H,7,13H2,1-3H3/t12-/m1/s1
InChIKeyDTDMDKPEKVPPRF-GFCCVEGCSA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol
CID 130041488
2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol
CID 130042273
[2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol
CID 130042268
(3S)-3-amino-3-(2,6-dimethylphenyl)propan-1-ol
CID 130664971
[2-(aminomethyl)-3-methylphenyl]methanol
CID 135377044
2-methyl-1-(5-methylnaphthalen-1-yl)propan-1-amine
CID 130152612
(1R,2S)-1-amino-1-(2-chloro-6-methylphenyl)-3-methylbutan-2-ol
CID 131371288
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
CID 131209275
(2R)-1-(2-iodo-3-methylphenyl)propan-2-amine
CID 131014197
1-(2,2-difluoroethyl)-3-methyl-2-propan-2-ylbenzene
CID 146481615
[2-[(2R)-2-aminopropoxy]-3-methylphenyl]methanol;oxalic acid
CID 171380777

Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol?
The IUPAC name of [2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol (CID 130665591) is [2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol.
What is the SMILES notation for [2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol?
The canonical SMILES for [2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol is Cc1cccc(CO)c1[C@H](N)C(C)C.
What is the InChIKey of [2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol?
The InChIKey is DTDMDKPEKVPPRF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(2)12(13)11-9(3)5-4-6-10(11)7-14/h4-6,8,12,14H,7,13H2,1-3H3/t12-/m1/s1.
What are the key properties of [2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol?
[2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol has a molecular weight of 193.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol is sourced from PubChem (CID 130665591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).