N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine

C14H21ClN2O — CID 82739891

IUPACN-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)c1ccc([C@H](C)N)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-9(16)11-4-5-14(12(15)8-11)17(3)13-6-7-18-10(13)2/h4-5,8-10,13H,6-7,16H2,1-3H3/t9-,10?,13?/m0/s1
InChIKeyLKJCKNOUQZMGDT-JBLZRFIASA-N
MW268.79 g/mol
LogP2.97
Rot. Bonds3

About N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine

N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82739891) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine
PubChem CID82739891
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)c1ccc([C@H](C)N)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-9(16)11-4-5-14(12(15)8-11)17(3)13-6-7-18-10(13)2/h4-5,8-10,13H,6-7,16H2,1-3H3/t9-,10?,13?/m0/s1
InChIKeyLKJCKNOUQZMGDT-JBLZRFIASA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82742935
N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine
CID 55130920
N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739979
4-chloro-5-fluoro-1-N-methyl-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82741235
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739889
3-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82739106
N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 82734785
4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63532385
N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine
CID 114064884
1-[5-bromo-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82971312
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 78948262
5-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]benzenecarboximidamide
CID 82739406

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine (CID 82739891) is N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)c1ccc([C@H](C)N)cc1Cl.
What is the InChIKey of N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is LKJCKNOUQZMGDT-JBLZRFIASA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9(16)11-4-5-14(12(15)8-11)17(3)13-6-7-18-10(13)2/h4-5,8-10,13H,6-7,16H2,1-3H3/t9-,10?,13?/m0/s1.
What are the key properties of N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine?
N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 268.79 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82739891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).