[2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine

C11H17NO — CID 175884767

IUPAC[2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine
SMILES[2H]c1cc(C(C)(C)OC)ccc1CN
InChIInChI=1S/C11H17NO/c1-11(2,13-3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3/i4D
InChIKeyPRWAGCKFRXSIRK-QYKNYGDISA-N
MW180.27 g/mol
LogP2.03
Rot. Bonds3

About [2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine

[2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine (PubChem CID 175884767) has the molecular formula C11H17NO and a molecular weight of 180.27 g/mol. Its IUPAC name is [2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine
PubChem CID175884767
Molecular FormulaC11H17NO
Molecular Weight180.27 g/mol
Exact Mass180.14
IUPAC Name[2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine
SMILES[2H]c1cc(C(C)(C)OC)ccc1CN
InChIInChI=1S/C11H17NO/c1-11(2,13-3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3/i4D
InChIKeyPRWAGCKFRXSIRK-QYKNYGDISA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-deuterio-4-(trifluoromethyl)phenyl]methanamine
CID 175728554
1,2,3,4,5,6-hexakis[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]benzene
CID 10920282
2-[4-(2-methoxypropan-2-yl)phenyl]propan-2-ol
CID 117297913
ethane;methyl 2-[4-(aminomethyl)phenyl]-2-methylpropanoate
CID 142893315
[4-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110760
[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
CID 63456904
(2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol
CID 130627760
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetradeuteriobenzene
CID 163449153
4-(2-methoxypropan-2-yl)benzoic acid
CID 18174432
1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine
CID 117411194
1-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentadeuteriobenzene
CID 132540823
CID 89055179
CID 89055179

Frequently Asked Questions

What is the IUPAC name of [2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine?
The IUPAC name of [2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine (CID 175884767) is [2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine.
What is the SMILES notation for [2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine?
The canonical SMILES for [2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine is [2H]c1cc(C(C)(C)OC)ccc1CN.
What is the InChIKey of [2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine?
The InChIKey is PRWAGCKFRXSIRK-QYKNYGDISA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,13-3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3/i4D.
What are the key properties of [2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine?
[2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine has a molecular weight of 180.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine is sourced from PubChem (CID 175884767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).