1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine

C17H20ClNO2 — CID 114855156

IUPAC1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine
SMILESCCCOc1ccccc1Oc1ccc(Cl)cc1CNC
InChIInChI=1S/C17H20ClNO2/c1-3-10-20-16-6-4-5-7-17(16)21-15-9-8-14(18)11-13(15)12-19-2/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyQGCRYYYUDHNXOH-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.64
Rot. Bonds7

About 1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine

1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine (PubChem CID 114855156) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine
PubChem CID114855156
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine
SMILESCCCOc1ccccc1Oc1ccc(Cl)cc1CNC
InChIInChI=1S/C17H20ClNO2/c1-3-10-20-16-6-4-5-7-17(16)21-15-9-8-14(18)11-13(15)12-19-2/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyQGCRYYYUDHNXOH-UHFFFAOYSA-N
XLogP4.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(2-propoxyphenyl)phenyl]-N-methylmethanamine
CID 104660912
1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine
CID 169384738
2-(5-chloro-2-propoxyphenyl)-N-methylethanamine
CID 82550114
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796195
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
1-[5-chloro-2-(3-methylsulfonylpropoxy)phenyl]-N-methylmethanamine
CID 55160595
1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114856068
1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 62699888
1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 64554992
1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855442

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine (CID 114855156) is 1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine is CCCOc1ccccc1Oc1ccc(Cl)cc1CNC.
What is the InChIKey of 1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is QGCRYYYUDHNXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-10-20-16-6-4-5-7-17(16)21-15-9-8-14(18)11-13(15)12-19-2/h4-9,11,19H,3,10,12H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114855156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).