N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine

C14H21Cl2NO — CID 65302866

IUPACN-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCOCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-14(2,3)17-7-9-18-8-6-11-4-5-12(15)13(16)10-11/h4-5,10,17H,6-9H2,1-3H3
InChIKeyMPPGMGNPBMDMLO-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.94
Rot. Bonds6

About N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine

N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine (PubChem CID 65302866) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine
PubChem CID65302866
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC NameN-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCOCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-14(2,3)17-7-9-18-8-6-11-4-5-12(15)13(16)10-11/h4-5,10,17H,6-9H2,1-3H3
InChIKeyMPPGMGNPBMDMLO-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene
CID 89246462
2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine
CID 66259222
N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine
CID 65304697
N-[2-[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethoxy]ethyl]-2-methylpropan-2-amine
CID 107294645
2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine
CID 65303014
2-[2-(2-quinoxalin-6-ylethoxy)ethylamino]propan-2-ol
CID 142653424
2-[2-(3,4-dichlorophenyl)ethylamino]-2-methylpropanenitrile
CID 115129625
2-methyl-N-[2-(2-pyridin-2-ylethoxy)ethyl]propan-2-amine
CID 62456481
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60732872
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230
1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene
CID 21060134
O-[3-(3,4-dichlorophenyl)propyl]hydroxylamine;hydrochloride
CID 163543876

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine (CID 65302866) is N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCOCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine?
The InChIKey is MPPGMGNPBMDMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-14(2,3)17-7-9-18-8-6-11-4-5-12(15)13(16)10-11/h4-5,10,17H,6-9H2,1-3H3.
What are the key properties of N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine?
N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine has a molecular weight of 290.23 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65302866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).