1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine

C14H21Cl2NO — CID 116760652

IUPAC1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine
SMILESCCC(CC)(OC)C(N)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-4-14(5-2,18-3)13(17)9-10-8-11(15)6-7-12(10)16/h6-8,13H,4-5,9,17H2,1-3H3
InChIKeyVMUKERIBNJJMNW-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.07
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine

1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine (PubChem CID 116760652) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine
PubChem CID116760652
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine
SMILESCCC(CC)(OC)C(N)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-4-14(5-2,18-3)13(17)9-10-8-11(15)6-7-12(10)16/h6-8,13H,4-5,9,17H2,1-3H3
InChIKeyVMUKERIBNJJMNW-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine
CID 115862976
1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724247
1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79197770
1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 114857144
4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
CID 65316880
1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056042
1-(2,4-dichlorophenyl)-3,3-dimethylpentan-2-amine
CID 115840191
1-(2,5-dichlorophenyl)-4-methylhexan-2-amine
CID 115863195
tert-butyl (2R)-2-amino-3-(2,5-dichlorophenyl)propanoate
CID 167733258
(2S)-4-(2,5-dichlorophenyl)butan-2-amine
CID 95375914
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
[1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270834

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine (CID 116760652) is 1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine is CCC(CC)(OC)C(N)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine?
The InChIKey is VMUKERIBNJJMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-4-14(5-2,18-3)13(17)9-10-8-11(15)6-7-12(10)16/h6-8,13H,4-5,9,17H2,1-3H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine?
1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine has a molecular weight of 290.23 g/mol, XLogP of 4.07, 6 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-ethyl-3-methoxypentan-2-amine is sourced from PubChem (CID 116760652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).