1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine

C14H23NO — CID 43379716

IUPAC1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
SMILESCOc1ccc(C(N)CC(C)(C)C)cc1C
InChIInChI=1S/C14H23NO/c1-10-8-11(6-7-13(10)16-5)12(15)9-14(2,3)4/h6-8,12H,9,15H2,1-5H3
InChIKeyAIMWALBMNPNKSG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.44
Rot. Bonds3

About 1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine

1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine (PubChem CID 43379716) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
PubChem CID43379716
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
SMILESCOc1ccc(C(N)CC(C)(C)C)cc1C
InChIInChI=1S/C14H23NO/c1-10-8-11(6-7-13(10)16-5)12(15)9-14(2,3)4/h6-8,12H,9,15H2,1-5H3
InChIKeyAIMWALBMNPNKSG-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol
CID 55265729
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride
CID 171233352
methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611
(1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine
CID 56971873
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
CID 116848729
(1S)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171233342
(1R)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171213719
(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171265096
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine (CID 43379716) is 1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine is COc1ccc(C(N)CC(C)(C)C)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is AIMWALBMNPNKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-8-11(6-7-13(10)16-5)12(15)9-14(2,3)4/h6-8,12H,9,15H2,1-5H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine?
1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 43379716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).