N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine

C14H21Cl2NO — CID 113450027

IUPACN-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine
SMILESCCC(NCC(C)(C)OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-5-13(17-9-14(2,3)18-4)11-7-6-10(15)8-12(11)16/h6-8,13,17H,5,9H2,1-4H3
InChIKeyWTRLXKAPJPTDDE-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.46
Rot. Bonds6

About N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine

N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine (PubChem CID 113450027) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine
PubChem CID113450027
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine
SMILESCCC(NCC(C)(C)OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-5-13(17-9-14(2,3)18-4)11-7-6-10(15)8-12(11)16/h6-8,13,17H,5,9H2,1-4H3
InChIKeyWTRLXKAPJPTDDE-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43503297
5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 106144506
1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904377
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151471
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate
CID 60780834
1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63827650
1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine
CID 105008882
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43503353
tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate
CID 107247740

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine (CID 113450027) is N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine is CCC(NCC(C)(C)OC)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine?
The InChIKey is WTRLXKAPJPTDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-5-13(17-9-14(2,3)18-4)11-7-6-10(15)8-12(11)16/h6-8,13,17H,5,9H2,1-4H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine?
N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 4.46, 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)propyl]-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 113450027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).