N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine

C12H16ClNO — CID 787812

IUPACN-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESClc1ccc(CNC[C@H]2CCCO2)cc1
InChIInChI=1S/C12H16ClNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14H,1-2,7-9H2/t12-/m1/s1
InChIKeySDLUZQHCUUASSV-GFCCVEGCSA-N
MW225.72 g/mol
LogP2.61
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine

N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine (PubChem CID 787812) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
PubChem CID787812
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESClc1ccc(CNC[C@H]2CCCO2)cc1
InChIInChI=1S/C12H16ClNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14H,1-2,7-9H2/t12-/m1/s1
InChIKeySDLUZQHCUUASSV-GFCCVEGCSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 107232896
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 54797397
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride
CID 6462943
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 143173982
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 27108901
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27108899
N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
4-[[[(2S)-oxolan-2-yl]methylamino]methyl]benzonitrile
CID 1439821
N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014706

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine (CID 787812) is N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine is Clc1ccc(CNC[C@H]2CCCO2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The InChIKey is SDLUZQHCUUASSV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14H,1-2,7-9H2/t12-/m1/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine has a molecular weight of 225.72 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 787812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).