N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine

C18H22ClNO — CID 81356975

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(C)N[C@@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClNO/c1-4-21-18-11-7-16(8-12-18)14(3)20-13(2)15-5-9-17(19)10-6-15/h5-14,20H,4H2,1-3H3/t13-,14?/m0/s1
InChIKeyNEIIWOWRHZRYNS-LSLKUGRBSA-N
MW303.83 g/mol
LogP5.15
Rot. Bonds6

About N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine (PubChem CID 81356975) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
PubChem CID81356975
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(C)N[C@@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClNO/c1-4-21-18-11-7-16(8-12-18)14(3)20-13(2)15-5-9-17(19)10-6-15/h5-14,20H,4H2,1-3H3/t13-,14?/m0/s1
InChIKeyNEIIWOWRHZRYNS-LSLKUGRBSA-N
XLogP5.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]pentan-2-amine
CID 43191473
N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43788964
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 16580047
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine
CID 81352829
1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 43734738
2-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 43402762
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909
1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
CID 41105338
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
CID 43721449

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine (CID 81356975) is N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine is CCOc1ccc(C(C)N[C@@H](C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine?
The InChIKey is NEIIWOWRHZRYNS-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-21-18-11-7-16(8-12-18)14(3)20-13(2)15-5-9-17(19)10-6-15/h5-14,20H,4H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine?
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine has a molecular weight of 303.83 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine is sourced from PubChem (CID 81356975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).