1-(2-chloro-6-ethoxyphenyl)butan-2-amine

C12H18ClNO — CID 114322005

IUPAC1-(2-chloro-6-ethoxyphenyl)butan-2-amine
SMILESCCOc1cccc(Cl)c1CC(N)CC
InChIInChI=1S/C12H18ClNO/c1-3-9(14)8-10-11(13)6-5-7-12(10)15-4-2/h5-7,9H,3-4,8,14H2,1-2H3
InChIKeyBPNFXINFTJZCEG-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.02
Rot. Bonds5

About 1-(2-chloro-6-ethoxyphenyl)butan-2-amine

1-(2-chloro-6-ethoxyphenyl)butan-2-amine (PubChem CID 114322005) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 1-(2-chloro-6-ethoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-ethoxyphenyl)butan-2-amine
PubChem CID114322005
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name1-(2-chloro-6-ethoxyphenyl)butan-2-amine
SMILESCCOc1cccc(Cl)c1CC(N)CC
InChIInChI=1S/C12H18ClNO/c1-3-9(14)8-10-11(13)6-5-7-12(10)15-4-2/h5-7,9H,3-4,8,14H2,1-2H3
InChIKeyBPNFXINFTJZCEG-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 114321969
1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine
CID 114322036
1-[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]butan-2-amine
CID 113277161
1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 114321998
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705
1-[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-amine
CID 114322152
1-[2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]butan-2-amine
CID 116617169
ethyl 2-[2-(2-aminobutyl)-3-chlorophenoxy]propanoate
CID 114322013
3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide
CID 114322156
1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine
CID 114321984
1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine
CID 63815743
2-[2-(2-aminobutyl)-3-chlorophenoxy]-N-butylacetamide
CID 114322009

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-ethoxyphenyl)butan-2-amine?
The IUPAC name of 1-(2-chloro-6-ethoxyphenyl)butan-2-amine (CID 114322005) is 1-(2-chloro-6-ethoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-ethoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(2-chloro-6-ethoxyphenyl)butan-2-amine is CCOc1cccc(Cl)c1CC(N)CC.
What is the InChIKey of 1-(2-chloro-6-ethoxyphenyl)butan-2-amine?
The InChIKey is BPNFXINFTJZCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-3-9(14)8-10-11(13)6-5-7-12(10)15-4-2/h5-7,9H,3-4,8,14H2,1-2H3.
What are the key properties of 1-(2-chloro-6-ethoxyphenyl)butan-2-amine?
1-(2-chloro-6-ethoxyphenyl)butan-2-amine has a molecular weight of 227.73 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-ethoxyphenyl)butan-2-amine is sourced from PubChem (CID 114322005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).