3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine

C13H21NO — CID 62724321

IUPAC3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)Cc1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-13(2,10-14-3)9-11-6-5-7-12(8-11)15-4/h5-8,14H,9-10H2,1-4H3
InChIKeyZAONCMYMMDKOKO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.48
Rot. Bonds5

About 3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine

3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 62724321) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
PubChem CID62724321
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)Cc1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-13(2,10-14-3)9-11-6-5-7-12(8-11)15-4/h5-8,14H,9-10H2,1-4H3
InChIKeyZAONCMYMMDKOKO-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-N,2-dimethylpropan-2-amine
CID 82125732
3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152
2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine
CID 62354804
1-(3-methoxyphenyl)-2-propan-2-yloxypropan-2-ol
CID 91379820
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
3-(3-methoxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride
CID 115048618
2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine
CID 62353604
N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023036
N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide
CID 121002353
4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 104625005
1-methoxy-3-propylbenzene
CID 14270128
2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine
CID 62724090

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine (CID 62724321) is 3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine is CNCC(C)(C)Cc1cccc(OC)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is ZAONCMYMMDKOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,10-14-3)9-11-6-5-7-12(8-11)15-4/h5-8,14H,9-10H2,1-4H3.
What are the key properties of 3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 62724321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).