N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine

C13H17Cl2NO — CID 43208415

IUPACN-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCc1ccc(Cl)c(Cl)c1)C1CCCO1
InChIInChI=1S/C13H17Cl2NO/c1-9(13-3-2-6-17-13)16-8-10-4-5-11(14)12(15)7-10/h4-5,7,9,13,16H,2-3,6,8H2,1H3
InChIKeyWZUSZDGHFSXJPB-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.65
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine

N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 43208415) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID43208415
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCc1ccc(Cl)c(Cl)c1)C1CCCO1
InChIInChI=1S/C13H17Cl2NO/c1-9(13-3-2-6-17-13)16-8-10-4-5-11(14)12(15)7-10/h4-5,7,9,13,16H,2-3,6,8H2,1H3
InChIKeyWZUSZDGHFSXJPB-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 106816198
N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 55039910
N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208430
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
N-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43111659
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 75504160
N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60873140
N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43432082
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43435325
2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115843395

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine (CID 43208415) is N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine is CC(NCc1ccc(Cl)c(Cl)c1)C1CCCO1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is WZUSZDGHFSXJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-9(13-3-2-6-17-13)16-8-10-4-5-11(14)12(15)7-10/h4-5,7,9,13,16H,2-3,6,8H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 274.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 43208415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).