N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine

C14H21Cl2NO — CID 65047890

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NC(C)c1ccc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C14H21Cl2NO/c1-9(2)14(8-18-4)17-10(3)12-6-5-11(15)7-13(12)16/h5-7,9-10,14,17H,8H2,1-4H3
InChIKeyLGOKUERRZPXELN-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.32
Rot. Bonds6

About N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine

N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine (PubChem CID 65047890) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
PubChem CID65047890
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NC(C)c1ccc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C14H21Cl2NO/c1-9(2)14(8-18-4)17-10(3)12-6-5-11(15)7-13(12)16/h5-7,9-10,14,17H,8H2,1-4H3
InChIKeyLGOKUERRZPXELN-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
CID 43094066
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
methyl 3-[1-(2,4-dichlorophenyl)ethylamino]butanoate
CID 43536724
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide
CID 95762229
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 43105207
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43758401
N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867800
1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine
CID 105008882
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 82774823
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
(1R)-N-[1-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382583

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine (CID 65047890) is N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine is COCC(NC(C)c1ccc(Cl)cc1Cl)C(C)C.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine?
The InChIKey is LGOKUERRZPXELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-9(2)14(8-18-4)17-10(3)12-6-5-11(15)7-13(12)16/h5-7,9-10,14,17H,8H2,1-4H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine?
N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine has a molecular weight of 290.23 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 65047890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).