2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride

C16H20ClNO — CID 2757944

IUPAC2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride
SMILESCOc1ccc(C(C)(C)c2ccccc2)cc1N.Cl
InChIInChI=1S/C16H19NO.ClH/c1-16(2,12-7-5-4-6-8-12)13-9-10-15(18-3)14(17)11-13;/h4-11H,17H2,1-3H3;1H
InChIKeyRWWWQPKHGYNPPA-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.03
Rot. Bonds3

About 2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride

2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride (PubChem CID 2757944) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride.

Molecular Properties

Compound Name2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride
PubChem CID2757944
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride
SMILESCOc1ccc(C(C)(C)c2ccccc2)cc1N.Cl
InChIInChI=1S/C16H19NO.ClH/c1-16(2,12-7-5-4-6-8-12)13-9-10-15(18-3)14(17)11-13;/h4-11H,17H2,1-3H3;1H
InChIKeyRWWWQPKHGYNPPA-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid
CID 141045302
5-methoxy-4-(2-phenylpropan-2-yl)benzene-1,3-diamine
CID 19849945
2-chloro-N'-[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]ethanimidamide
CID 169365601
4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline
CID 146642580
2-phenylpropan-2-ylbenzene
CID 13065
2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine
CID 118642792
2-methoxyaniline;dihydrochloride
CID 69020746
CID 169426267
CID 169426267
3,5-bis(2-phenylpropan-2-yl)aniline
CID 142144538
4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine
CID 138517761
4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene
CID 118041037
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride?
The IUPAC name of 2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride (CID 2757944) is 2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride.
What is the SMILES notation for 2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride?
The canonical SMILES for 2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride is COc1ccc(C(C)(C)c2ccccc2)cc1N.Cl.
What is the InChIKey of 2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride?
The InChIKey is RWWWQPKHGYNPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-16(2,12-7-5-4-6-8-12)13-9-10-15(18-3)14(17)11-13;/h4-11H,17H2,1-3H3;1H.
What are the key properties of 2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride?
2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-phenylpropan-2-yl)aniline;hydrochloride is sourced from PubChem (CID 2757944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).