2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine

C12H19NO — CID 79004035

IUPAC2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine
SMILESCc1ccc(OCC(C)(C)CN)cc1
InChIInChI=1S/C12H19NO/c1-10-4-6-11(7-5-10)14-9-12(2,3)8-13/h4-7H,8-9,13H2,1-3H3
InChIKeyWFLHSZXCLGVAPL-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.36
Rot. Bonds4

About 2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine

2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine (PubChem CID 79004035) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine
PubChem CID79004035
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine
SMILESCc1ccc(OCC(C)(C)CN)cc1
InChIInChI=1S/C12H19NO/c1-10-4-6-11(7-5-10)14-9-12(2,3)8-13/h4-7H,8-9,13H2,1-3H3
InChIKeyWFLHSZXCLGVAPL-UHFFFAOYSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine
CID 79018967
1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene
CID 68643436
2,2-dimethyl-3-(4-methylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79627194
2-[4-(3-amino-2,2-dimethylpropoxy)phenyl]acetic acid
CID 117094919
[4-(4-methylphenyl)phenoxy]methanamine
CID 148562944
3-(3-iodophenoxy)-2,2-dimethylpropan-1-amine
CID 79626894
1-(4-methoxyphenoxy)-2-methylpropan-2-amine
CID 18349748
3,3-dimethyl-4-phenoxybutan-1-amine
CID 115019571
1-(4-ethoxyphenyl)-1-(4-methylphenyl)ethanamine
CID 62788691
1-(2,2-dimethylbutoxy)-4-methoxybenzene
CID 70980088
ethane;bis(2-methyl-2-[3-methyl-3-(4-methylphenoxy)butoxy]propan-1-amine)
CID 153334126
2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine
CID 65256122

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine (CID 79004035) is 2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine is Cc1ccc(OCC(C)(C)CN)cc1.
What is the InChIKey of 2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine?
The InChIKey is WFLHSZXCLGVAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-4-6-11(7-5-10)14-9-12(2,3)8-13/h4-7H,8-9,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine?
2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine is sourced from PubChem (CID 79004035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).