2-(5-chloro-2-propoxyphenyl)-N-methylethanamine

C12H18ClNO — CID 82550114

IUPAC2-(5-chloro-2-propoxyphenyl)-N-methylethanamine
SMILESCCCOc1ccc(Cl)cc1CCNC
InChIInChI=1S/C12H18ClNO/c1-3-8-15-12-5-4-11(13)9-10(12)6-7-14-2/h4-5,9,14H,3,6-8H2,1-2H3
InChIKeyYRNZVJPJSJJFBL-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.89
Rot. Bonds6

About 2-(5-chloro-2-propoxyphenyl)-N-methylethanamine

2-(5-chloro-2-propoxyphenyl)-N-methylethanamine (PubChem CID 82550114) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(5-chloro-2-propoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-propoxyphenyl)-N-methylethanamine
PubChem CID82550114
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(5-chloro-2-propoxyphenyl)-N-methylethanamine
SMILESCCCOc1ccc(Cl)cc1CCNC
InChIInChI=1S/C12H18ClNO/c1-3-8-15-12-5-4-11(13)9-10(12)6-7-14-2/h4-5,9,14H,3,6-8H2,1-2H3
InChIKeyYRNZVJPJSJJFBL-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine
CID 104660912
1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114855156
3-[(5-chloro-2-propoxyphenyl)methylamino]propanoic acid
CID 102536603
N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine
CID 43278029
1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine
CID 169384738
2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol
CID 83933377
2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906110
N-[2-(2-benzyl-4-chlorophenoxy)ethyl]propan-1-amine
CID 63516060

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-propoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2-propoxyphenyl)-N-methylethanamine (CID 82550114) is 2-(5-chloro-2-propoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2-propoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2-propoxyphenyl)-N-methylethanamine is CCCOc1ccc(Cl)cc1CCNC.
What is the InChIKey of 2-(5-chloro-2-propoxyphenyl)-N-methylethanamine?
The InChIKey is YRNZVJPJSJJFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-3-8-15-12-5-4-11(13)9-10(12)6-7-14-2/h4-5,9,14H,3,6-8H2,1-2H3.
What are the key properties of 2-(5-chloro-2-propoxyphenyl)-N-methylethanamine?
2-(5-chloro-2-propoxyphenyl)-N-methylethanamine has a molecular weight of 227.73 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-propoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 82550114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).