N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine

C14H20ClNO — CID 113483469

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(N[C@H](C)c1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C14H20ClNO/c1-10(12-4-3-5-14(15)8-12)16-11(2)13-6-7-17-9-13/h3-5,8,10-11,13,16H,6-7,9H2,1-2H3/t10-,11?,13?/m1/s1
InChIKeyDGMJVLZPQZBWBW-XSRFYTQQSA-N
MW253.77 g/mol
LogP3.42
Rot. Bonds4

About N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 113483469) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
PubChem CID113483469
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(N[C@H](C)c1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C14H20ClNO/c1-10(12-4-3-5-14(15)8-12)16-11(2)13-6-7-17-9-13/h3-5,8,10-11,13,16H,6-7,9H2,1-2H3/t10-,11?,13?/m1/s1
InChIKeyDGMJVLZPQZBWBW-XSRFYTQQSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 115704677
N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115718211
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115713183
N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655120
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline
CID 115723946
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine
CID 115707063
N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115704048
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide
CID 103911153
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 104865494

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine (CID 113483469) is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine is CC(N[C@H](C)c1cccc(Cl)c1)C1CCOC1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is DGMJVLZPQZBWBW-XSRFYTQQSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(12-4-3-5-14(15)8-12)16-11(2)13-6-7-17-9-13/h3-5,8,10-11,13,16H,6-7,9H2,1-2H3/t10-,11?,13?/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine?
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 253.77 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 113483469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).