(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine

C10H14ClNO — CID 51396913

IUPAC(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc([C@@H](C)N)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-3-13-10-5-4-8(7(2)12)6-9(10)11/h4-7H,3,12H2,1-2H3/t7-/m1/s1
InChIKeyADYWYQLLICBYQR-SSDOTTSWSA-N
MW199.68 g/mol
LogP2.76
Rot. Bonds3

About (1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine

(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine (PubChem CID 51396913) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
PubChem CID51396913
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc([C@@H](C)N)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-3-13-10-5-4-8(7(2)12)6-9(10)11/h4-7H,3,12H2,1-2H3/t7-/m1/s1
InChIKeyADYWYQLLICBYQR-SSDOTTSWSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-ethoxyphenyl)-methoxymethanamine
CID 116947279
1-(3-chloro-4-hexoxyphenyl)ethanamine
CID 55130353
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377
(1S)-1-[3-chloro-4-(4-methoxybutoxy)phenyl]ethanamine
CID 113436828
1-[3-chloro-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 62912402
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
CID 116859678
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-(3-chloro-4-ethoxyphenyl)-2-methylbutane-1,4-diamine
CID 116934028
5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol
CID 113389772
1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine
CID 116947040
1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 116934896

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine (CID 51396913) is (1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine is CCOc1ccc([C@@H](C)N)cc1Cl.
What is the InChIKey of (1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine?
The InChIKey is ADYWYQLLICBYQR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-3-13-10-5-4-8(7(2)12)6-9(10)11/h4-7H,3,12H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine?
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine is sourced from PubChem (CID 51396913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).