2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride

C11H18ClNO — CID 67605594

IUPAC2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
SMILESCOc1cccc(C(C)(C)CN)c1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-11(2,8-12)9-5-4-6-10(7-9)13-3;/h4-7H,8,12H2,1-3H3;1H
InChIKeyCITMZWCAAGIUNC-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.35
Rot. Bonds3

About 2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride

2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride (PubChem CID 67605594) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
PubChem CID67605594
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
SMILESCOc1cccc(C(C)(C)CN)c1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-11(2,8-12)9-5-4-6-10(7-9)13-3;/h4-7H,8,12H2,1-3H3;1H
InChIKeyCITMZWCAAGIUNC-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine
CID 57243357
4-[3-(1-amino-2-methylpropan-2-yl)phenoxy]aniline
CID 116996629
3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135089
1-tert-butyl-4-[2-(3-methoxyphenyl)-2-methylpropyl]benzene
CID 129081798
N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201631
N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198963
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine
CID 94684684

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of 2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride (CID 67605594) is 2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride is COc1cccc(C(C)(C)CN)c1.Cl.
What is the InChIKey of 2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride?
The InChIKey is CITMZWCAAGIUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-11(2,8-12)9-5-4-6-10(7-9)13-3;/h4-7H,8,12H2,1-3H3;1H.
What are the key properties of 2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride?
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 67605594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).