(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine

C12H18ClNO — CID 63366602

IUPAC(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine
SMILESCCCCOc1ccc(Cl)cc1[C@@H](C)N
InChIInChI=1S/C12H18ClNO/c1-3-4-7-15-12-6-5-10(13)8-11(12)9(2)14/h5-6,8-9H,3-4,7,14H2,1-2H3/t9-/m1/s1
InChIKeySQQYQNOBJLRBDZ-SECBINFHSA-N
MW227.73 g/mol
LogP3.54
Rot. Bonds5

About (1R)-1-(2-butoxy-5-chlorophenyl)ethanamine

(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine (PubChem CID 63366602) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is (1R)-1-(2-butoxy-5-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine
PubChem CID63366602
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine
SMILESCCCCOc1ccc(Cl)cc1[C@@H](C)N
InChIInChI=1S/C12H18ClNO/c1-3-4-7-15-12-6-5-10(13)8-11(12)9(2)14/h5-6,8-9H,3-4,7,14H2,1-2H3/t9-/m1/s1
InChIKeySQQYQNOBJLRBDZ-SECBINFHSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(5-chloro-2-hexoxyphenyl)ethanamine
CID 78932904
6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol
CID 107702669
5-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]pentan-1-ol
CID 55189555
1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine
CID 63499413
1-[5-chloro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 62074214
1-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369844
1-[5-chloro-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471550
(1R)-1-[5-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 78932807
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-butoxy-5-chlorophenyl)ethanamine?
The IUPAC name of (1R)-1-(2-butoxy-5-chlorophenyl)ethanamine (CID 63366602) is (1R)-1-(2-butoxy-5-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-butoxy-5-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-1-(2-butoxy-5-chlorophenyl)ethanamine is CCCCOc1ccc(Cl)cc1[C@@H](C)N.
What is the InChIKey of (1R)-1-(2-butoxy-5-chlorophenyl)ethanamine?
The InChIKey is SQQYQNOBJLRBDZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-3-4-7-15-12-6-5-10(13)8-11(12)9(2)14/h5-6,8-9H,3-4,7,14H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(2-butoxy-5-chlorophenyl)ethanamine?
(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine has a molecular weight of 227.73 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-butoxy-5-chlorophenyl)ethanamine is sourced from PubChem (CID 63366602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).