3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride

C12H20ClNO — CID 86277152

IUPAC3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCOc1cccc(CC(C)(C)CN)c1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-12(2,9-13)8-10-5-4-6-11(7-10)14-3;/h4-7H,8-9,13H2,1-3H3;1H
InChIKeyHDPHWPXVRMKMDC-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.64
Rot. Bonds4

About 3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride

3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 86277152) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID86277152
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCOc1cccc(CC(C)(C)CN)c1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-12(2,9-13)8-10-5-4-6-11(7-10)14-3;/h4-7H,8-9,13H2,1-3H3;1H
InChIKeyHDPHWPXVRMKMDC-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 112566569
2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine
CID 62724090
3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 62724321
2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62724504
3-(3-methoxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride
CID 115048618
1-(3-methoxyphenyl)-N,2-dimethylpropan-2-amine
CID 82125732
3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84746685
N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253981
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 122240080
3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol
CID 66432579
N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023036

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride (CID 86277152) is 3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride is COc1cccc(CC(C)(C)CN)c1.Cl.
What is the InChIKey of 3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is HDPHWPXVRMKMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-12(2,9-13)8-10-5-4-6-11(7-10)14-3;/h4-7H,8-9,13H2,1-3H3;1H.
What are the key properties of 3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 86277152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).