1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine

C15H24ClNO2 — CID 116757609

IUPAC1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine
SMILESCCC(C)(OC)C(Cc1cc(Cl)ccc1OC)NC
InChIInChI=1S/C15H24ClNO2/c1-6-15(2,19-5)14(17-3)10-11-9-12(16)7-8-13(11)18-4/h7-9,14,17H,6,10H2,1-5H3
InChIKeyAYLMQAYQQMJLPY-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.29
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine

1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine (PubChem CID 116757609) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine
PubChem CID116757609
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine
SMILESCCC(C)(OC)C(Cc1cc(Cl)ccc1OC)NC
InChIInChI=1S/C15H24ClNO2/c1-6-15(2,19-5)14(17-3)10-11-9-12(16)7-8-13(11)18-4/h7-9,14,17H,6,10H2,1-5H3
InChIKeyAYLMQAYQQMJLPY-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354
1-(2,5-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758892
[1-chloro-3-(5-chloro-2-methoxyphenyl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265511
[1-(5-chloro-2-methoxyphenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025258
1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
CID 103449379
1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 103048890
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine
CID 115845070
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 63521687
[1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105297648

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine (CID 116757609) is 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine is CCC(C)(OC)C(Cc1cc(Cl)ccc1OC)NC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine?
The InChIKey is AYLMQAYQQMJLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-6-15(2,19-5)14(17-3)10-11-9-12(16)7-8-13(11)18-4/h7-9,14,17H,6,10H2,1-5H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine?
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine has a molecular weight of 285.81 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine is sourced from PubChem (CID 116757609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).