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

C12H15Cl2NO — CID 60920110

IUPACN-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESClc1cccc(CNCC2CCOC2)c1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-3-1-2-10(12(11)14)7-15-6-9-4-5-16-8-9/h1-3,9,15H,4-8H2
InChIKeySBQJAQGHVOCTOJ-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.12
Rot. Bonds4

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

N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 60920110) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID60920110
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESClc1cccc(CNCC2CCOC2)c1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-3-1-2-10(12(11)14)7-15-6-9-4-5-16-8-9/h1-3,9,15H,4-8H2
InChIKeySBQJAQGHVOCTOJ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112554095
N-[(2,5-dichlorophenyl)methyl]-1-[(3S)-oxolan-3-yl]methanamine
CID 96982783
2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112606580
3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270651
N-[(2-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 61040054
N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458212
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707
1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60921002
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931890
2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 62564827
2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 107307902
1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine
CID 107310013

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine (CID 60920110) is N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine is Clc1cccc(CNCC2CCOC2)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is SBQJAQGHVOCTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-11-3-1-2-10(12(11)14)7-15-6-9-4-5-16-8-9/h1-3,9,15H,4-8H2.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 260.16 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 60920110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).