N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine

C15H21Cl2NO2 — CID 43515830

IUPACN-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)cc(Cl)c1OCC1CCCO1
InChIInChI=1S/C15H21Cl2NO2/c1-10(2)18-8-11-6-12(16)7-14(17)15(11)20-9-13-4-3-5-19-13/h6-7,10,13,18H,3-5,8-9H2,1-2H3
InChIKeyKMGHWPHWJSQDDZ-UHFFFAOYSA-N
MW318.24 g/mol
LogP4.05
Rot. Bonds6

About N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine

N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 43515830) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID43515830
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC NameN-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)cc(Cl)c1OCC1CCCO1
InChIInChI=1S/C15H21Cl2NO2/c1-10(2)18-8-11-6-12(16)7-14(17)15(11)20-9-13-4-3-5-19-13/h6-7,10,13,18H,3-5,8-9H2,1-2H3
InChIKeyKMGHWPHWJSQDDZ-UHFFFAOYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine
CID 63499376
2-[[2-(bromomethyl)-4,6-dichlorophenoxy]methyl]oxane
CID 43592015
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 4717405
N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276802
N-[(3,5-dichloro-2-propan-2-yloxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51989916
1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 60889829
2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane
CID 113438848
N-cyclopropyl-2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43515834
4-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114848952
N-[(3,5-dichloro-2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43515840
N-[[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60887324
N-[[2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291426

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine (CID 43515830) is N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cc(Cl)cc(Cl)c1OCC1CCCO1.
What is the InChIKey of N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is KMGHWPHWJSQDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-10(2)18-8-11-6-12(16)7-14(17)15(11)20-9-13-4-3-5-19-13/h6-7,10,13,18H,3-5,8-9H2,1-2H3.
What are the key properties of N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine?
N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 318.24 g/mol, XLogP of 4.05, 6 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-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43515830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).