N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine

C16H17Cl2NO — CID 63944292

IUPACN-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H17Cl2NO/c1-11(2)19-10-12-4-3-5-13(8-12)20-14-6-7-15(17)16(18)9-14/h3-9,11,19H,10H2,1-2H3
InChIKeyDIHLGDAANJVYLD-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.28
Rot. Bonds5

About N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine

N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine (PubChem CID 63944292) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
PubChem CID63944292
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H17Cl2NO/c1-11(2)19-10-12-4-3-5-13(8-12)20-14-6-7-15(17)16(18)9-14/h3-9,11,19H,10H2,1-2H3
InChIKeyDIHLGDAANJVYLD-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63942324
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline
CID 63942132
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643
1-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-2-phenylhydrazine
CID 169386901
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62322260
N-[[3-(2,3-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63943700
N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489176
N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 106861670
N-[[3-(2-chloroprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60883728
N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63985993

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine (CID 63944292) is N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is DIHLGDAANJVYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11(2)19-10-12-4-3-5-13(8-12)20-14-6-7-15(17)16(18)9-14/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine?
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 310.22 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63944292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).