1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine

C18H22ClNO — CID 81160068

IUPAC1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine
SMILESCCc1ccccc1Oc1ccc(CC(N)CC)cc1Cl
InChIInChI=1S/C18H22ClNO/c1-3-14-7-5-6-8-17(14)21-18-10-9-13(12-16(18)19)11-15(20)4-2/h5-10,12,15H,3-4,11,20H2,1-2H3
InChIKeyGDYOEQFIEUZXHE-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.97
Rot. Bonds6

About 1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine

1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine (PubChem CID 81160068) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine
PubChem CID81160068
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine
SMILESCCc1ccccc1Oc1ccc(CC(N)CC)cc1Cl
InChIInChI=1S/C18H22ClNO/c1-3-14-7-5-6-8-17(14)21-18-10-9-13(12-16(18)19)11-15(20)4-2/h5-10,12,15H,3-4,11,20H2,1-2H3
InChIKeyGDYOEQFIEUZXHE-UHFFFAOYSA-N
XLogP4.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-bromophenoxy)-3-chlorophenyl]butan-2-amine
CID 81165959
1-[3-chloro-4-(4-ethylphenoxy)phenyl]butan-2-amine
CID 81159953
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 81160055
1-[4-chloro-2-(2-ethylphenoxy)phenyl]butan-2-amine
CID 114863092
1-[3-chloro-4-(2,4-dibromophenoxy)phenyl]butan-2-amine
CID 81160657
2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid
CID 15581880
1-[2-(4-bromo-2,5-dichlorophenoxy)phenyl]butan-2-amine
CID 107661682
1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
CID 63941363
1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]butan-2-amine
CID 63803843
1-[3-chloro-4-(methoxymethoxy)phenyl]butan-2-amine
CID 65364855
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 81159950

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine (CID 81160068) is 1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine is CCc1ccccc1Oc1ccc(CC(N)CC)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine?
The InChIKey is GDYOEQFIEUZXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-14-7-5-6-8-17(14)21-18-10-9-13(12-16(18)19)11-15(20)4-2/h5-10,12,15H,3-4,11,20H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine?
1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine is sourced from PubChem (CID 81160068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).