1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine

C15H24ClNO — CID 62601354

IUPAC1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1cc(Cl)ccc1OC)C(C)(C)C
InChIInChI=1S/C15H24ClNO/c1-6-17-14(15(2,3)4)10-11-9-12(16)7-8-13(11)18-5/h7-9,14,17H,6,10H2,1-5H3
InChIKeyDCCSYNANJRGKTB-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.92
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine

1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine (PubChem CID 62601354) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
PubChem CID62601354
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1cc(Cl)ccc1OC)C(C)(C)C
InChIInChI=1S/C15H24ClNO/c1-6-17-14(15(2,3)4)10-11-9-12(16)7-8-13(11)18-5/h7-9,14,17H,6,10H2,1-5H3
InChIKeyDCCSYNANJRGKTB-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 62916009
2-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414164
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine
CID 116757609
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
[1-chloro-3-(5-chloro-2-methoxyphenyl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265511
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 105137424
1-(5-chloro-2-nitrophenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 115472054
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 63521687
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115844893
1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
CID 114270657
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 63415780
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 115844824

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine (CID 62601354) is 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine is CCNC(Cc1cc(Cl)ccc1OC)C(C)(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine?
The InChIKey is DCCSYNANJRGKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-6-17-14(15(2,3)4)10-11-9-12(16)7-8-13(11)18-5/h7-9,14,17H,6,10H2,1-5H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine?
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 62601354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).