N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine

C14H21Cl2NO2 — CID 65369623

IUPACN-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCOCOc1c(Cl)cc(Cl)cc1CNCC(C)C
InChIInChI=1S/C14H21Cl2NO2/c1-4-18-9-19-14-11(8-17-7-10(2)3)5-12(15)6-13(14)16/h5-6,10,17H,4,7-9H2,1-3H3
InChIKeyBECGDBOWLUOPQB-UHFFFAOYSA-N
MW306.23 g/mol
LogP4.11
Rot. Bonds8

About N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 65369623) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID65369623
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC NameN-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCOCOc1c(Cl)cc(Cl)cc1CNCC(C)C
InChIInChI=1S/C14H21Cl2NO2/c1-4-18-9-19-14-11(8-17-7-10(2)3)5-12(15)6-13(14)16/h5-6,10,17H,4,7-9H2,1-3H3
InChIKeyBECGDBOWLUOPQB-UHFFFAOYSA-N
XLogP4.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine
CID 65369787
N-[(2-but-2-enoxy-3,5-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 76997511
5-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 63058137
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 35697855
3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide
CID 63056123
2-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]propanenitrile
CID 55147794
N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine
CID 63486026
N-[[3-chloro-4-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369848
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369676
N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 65369408
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209034

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 65369623) is N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine is CCOCOc1c(Cl)cc(Cl)cc1CNCC(C)C.
What is the InChIKey of N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BECGDBOWLUOPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO2/c1-4-18-9-19-14-11(8-17-7-10(2)3)5-12(15)6-13(14)16/h5-6,10,17H,4,7-9H2,1-3H3.
What are the key properties of N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 306.23 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65369623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).