1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine

C14H21Cl2NO — CID 116724247

IUPAC1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
SMILESCOC(C(N)Cc1cc(Cl)ccc1Cl)C(C)(C)C
InChIInChI=1S/C14H21Cl2NO/c1-14(2,3)13(18-4)12(17)8-9-7-10(15)5-6-11(9)16/h5-7,12-13H,8,17H2,1-4H3
InChIKeyKWTGLRWNKHYJEF-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.92
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine

1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine (PubChem CID 116724247) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
PubChem CID116724247
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
SMILESCOC(C(N)Cc1cc(Cl)ccc1Cl)C(C)(C)C
InChIInChI=1S/C14H21Cl2NO/c1-14(2,3)13(18-4)12(17)8-9-7-10(15)5-6-11(9)16/h5-7,12-13H,8,17H2,1-4H3
InChIKeyKWTGLRWNKHYJEF-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-pyridinyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724281
1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine
CID 116760652
1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713299
tert-butyl (2R)-2-amino-3-(2,5-dichlorophenyl)propanoate
CID 167733258
4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
CID 65316880
3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine
CID 115862976
2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 65318187
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
[1-(2,5-dichlorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247088
1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
CID 64664629
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 103049142
3-(2,5-dichlorophenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 66037663

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine (CID 116724247) is 1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine is COC(C(N)Cc1cc(Cl)ccc1Cl)C(C)(C)C.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine?
The InChIKey is KWTGLRWNKHYJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-14(2,3)13(18-4)12(17)8-9-7-10(15)5-6-11(9)16/h5-7,12-13H,8,17H2,1-4H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine?
1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine has a molecular weight of 290.23 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 116724247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).