3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine

C12H18ClNO — CID 62454588

IUPAC3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)COc1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-3-14-8-10(2)9-15-12-7-5-4-6-11(12)13/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyCSXNNYSJARIBHR-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.96
Rot. Bonds6

About 3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine

3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine (PubChem CID 62454588) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine
PubChem CID62454588
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)COc1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-3-14-8-10(2)9-15-12-7-5-4-6-11(12)13/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyCSXNNYSJARIBHR-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 62460664
N-[3-(2-chlorophenoxy)-2-methylpropyl]cyclopropanamine
CID 62454591
2-[2-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107713005
3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62450721
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160245
(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine
CID 39109828
3-(2-fluorophenoxy)-2-methyl-N-propylpropan-1-amine
CID 62453534
[(2S)-1-(2-chlorophenoxy)propan-2-yl]boronic acid
CID 124673132
N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62454422
1-[2-(bromomethyl)butoxy]-2-chlorobenzene
CID 64995502
1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol
CID 43804642

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine (CID 62454588) is 3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine is CCNCC(C)COc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is CSXNNYSJARIBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-3-14-8-10(2)9-15-12-7-5-4-6-11(12)13/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of 3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine?
3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 62454588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).