1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine

C17H20ClNO2 — CID 114856068

IUPAC1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
SMILESCCCOc1ccc(Oc2cc(Cl)ccc2CNC)cc1
InChIInChI=1S/C17H20ClNO2/c1-3-10-20-15-6-8-16(9-7-15)21-17-11-14(18)5-4-13(17)12-19-2/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyXEYFMRBDEBOKFT-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.64
Rot. Bonds7

About 1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine

1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine (PubChem CID 114856068) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
PubChem CID114856068
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
SMILESCCCOc1ccc(Oc2cc(Cl)ccc2CNC)cc1
InChIInChI=1S/C17H20ClNO2/c1-3-10-20-15-6-8-16(9-7-15)21-17-11-14(18)5-4-13(17)12-19-2/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyXEYFMRBDEBOKFT-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

[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855010
N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114855553
1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855627
1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796195
1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114857848
1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855442
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
1-[5-chloro-2-(2-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114855156

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine (CID 114856068) is 1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine is CCCOc1ccc(Oc2cc(Cl)ccc2CNC)cc1.
What is the InChIKey of 1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is XEYFMRBDEBOKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-10-20-15-6-8-16(9-7-15)21-17-11-14(18)5-4-13(17)12-19-2/h4-9,11,19H,3,10,12H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine?
1-[4-chloro-2-(4-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-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114856068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).