1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine

C16H26ClNO — CID 106868834

IUPAC1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
SMILESCCOC(C)(CC)C(Cc1ccc(C)cc1Cl)NC
InChIInChI=1S/C16H26ClNO/c1-6-16(4,19-7-2)15(18-5)11-13-9-8-12(3)10-14(13)17/h8-10,15,18H,6-7,11H2,1-5H3
InChIKeyYNSOCFLDNMDLMI-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.98
Rot. Bonds7

About 1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine

1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine (PubChem CID 106868834) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
PubChem CID106868834
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
SMILESCCOC(C)(CC)C(Cc1ccc(C)cc1Cl)NC
InChIInChI=1S/C16H26ClNO/c1-6-16(4,19-7-2)15(18-5)11-13-9-8-12(3)10-14(13)17/h8-10,15,18H,6-7,11H2,1-5H3
InChIKeyYNSOCFLDNMDLMI-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758892
1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758747
1-(2-chloro-4-methylphenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 106868825
1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758899
1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 116759408
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 106868842
[1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106868583
1-(4-bromo-2-chlorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760754
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986
1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine
CID 106866597
1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
CID 106866712
1-(2-chloro-4-methylphenyl)-3-methylpentane-2,3-diol
CID 106867632

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine (CID 106868834) is 1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine is CCOC(C)(CC)C(Cc1ccc(C)cc1Cl)NC.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine?
The InChIKey is YNSOCFLDNMDLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-6-16(4,19-7-2)15(18-5)11-13-9-8-12(3)10-14(13)17/h8-10,15,18H,6-7,11H2,1-5H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine?
1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine has a molecular weight of 283.84 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine is sourced from PubChem (CID 106868834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).