[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride

C11H18ClNO — CID 126802306

IUPAC[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
SMILESCC(C)(C)Oc1cccc(CN)c1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-11(2,3)13-10-6-4-5-9(7-10)8-12;/h4-7H,8,12H2,1-3H3;1H
InChIKeyJXQODNZVQPVBJC-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.74
Rot. Bonds2

About [3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride

[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride (PubChem CID 126802306) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is [3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
PubChem CID126802306
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
SMILESCC(C)(C)Oc1cccc(CN)c1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-11(2,3)13-10-6-4-5-9(7-10)8-12;/h4-7H,8,12H2,1-3H3;1H
InChIKeyJXQODNZVQPVBJC-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54025707
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[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
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1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
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3-[(2-methylpropan-2-yl)oxy]aniline
CID 19389149
[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
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(3-methylphenyl)methanamine;hydrochloride
CID 18670917
[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 102814557
4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
CID 110460827
2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 83820236
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
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CID 81328936

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride?
The IUPAC name of [3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride (CID 126802306) is [3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride is CC(C)(C)Oc1cccc(CN)c1.Cl.
What is the InChIKey of [3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride?
The InChIKey is JXQODNZVQPVBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-11(2,3)13-10-6-4-5-9(7-10)8-12;/h4-7H,8,12H2,1-3H3;1H.
What are the key properties of [3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride?
[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 126802306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).