(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine

C18H22ClNO — CID 81361944

IUPAC(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
SMILESCCOc1ccccc1C(C)N[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-4-21-18-11-6-5-10-17(18)14(3)20-13(2)15-8-7-9-16(19)12-15/h5-14,20H,4H2,1-3H3/t13-,14?/m0/s1
InChIKeyGLDPRWHVFNSNFF-LSLKUGRBSA-N
MW303.83 g/mol
LogP5.15
Rot. Bonds6

About (1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine

(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine (PubChem CID 81361944) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
PubChem CID81361944
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
SMILESCCOc1ccccc1C(C)N[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-4-21-18-11-6-5-10-17(18)14(3)20-13(2)15-8-7-9-16(19)12-15/h5-14,20H,4H2,1-3H3/t13-,14?/m0/s1
InChIKeyGLDPRWHVFNSNFF-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

(1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81381142
(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54381200
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81365988
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730085
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
3-amino-2-(3-chlorophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65186329
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide
CID 7944603
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine (CID 81361944) is (1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine is CCOc1ccccc1C(C)N[C@@H](C)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine?
The InChIKey is GLDPRWHVFNSNFF-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-21-18-11-6-5-10-17(18)14(3)20-13(2)15-8-7-9-16(19)12-15/h5-14,20H,4H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine?
(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]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 (1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 81361944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).