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

C12H15Cl2NO — CID 7324570

IUPACN-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESClc1ccc(CNC[C@H]2CCCO2)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-4-3-9(6-12(11)14)7-15-8-10-2-1-5-16-10/h3-4,6,10,15H,1-2,5,7-8H2/t10-/m1/s1
InChIKeyDGBYCDGLPOVSMD-SNVBAGLBSA-N
MW260.16 g/mol
LogP3.26
Rot. Bonds4

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

N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine (PubChem CID 7324570) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
PubChem CID7324570
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESClc1ccc(CNC[C@H]2CCCO2)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-4-3-9(6-12(11)14)7-15-8-10-2-1-5-16-10/h3-4,6,10,15H,1-2,5,7-8H2/t10-/m1/s1
InChIKeyDGBYCDGLPOVSMD-SNVBAGLBSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29223887
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51992842
2,6-dichloro-4-[(oxolan-2-ylmethylamino)methyl]aniline
CID 82833111
N-[[4-(chloromethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 107232896
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 54893724
N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990884
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55228585
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
2-bromo-4-[(oxolan-2-ylmethylamino)methyl]phenol
CID 60657621

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine (CID 7324570) is N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine is Clc1ccc(CNC[C@H]2CCCO2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The InChIKey is DGBYCDGLPOVSMD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-11-4-3-9(6-12(11)14)7-15-8-10-2-1-5-16-10/h3-4,6,10,15H,1-2,5,7-8H2/t10-/m1/s1.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine has a molecular weight of 260.16 g/mol, XLogP of 3.26, 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-[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 7324570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).