1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine

C17H20ClNO2 — CID 114318831

IUPAC1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OCCCOc1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-19-13-15-16(18)9-5-10-17(15)21-12-6-11-20-14-7-3-2-4-8-14/h2-5,7-10,19H,6,11-13H2,1H3
InChIKeyPXPCBZRQHZJGRK-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.91
Rot. Bonds8

About 1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine

1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine (PubChem CID 114318831) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine
PubChem CID114318831
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OCCCOc1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-19-13-15-16(18)9-5-10-17(15)21-12-6-11-20-14-7-3-2-4-8-14/h2-5,7-10,19H,6,11-13H2,1H3
InChIKeyPXPCBZRQHZJGRK-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine
CID 114318647
1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 114318632
methyl 4-[3-chloro-2-(methylaminomethyl)phenoxy]butanoate
CID 114318736
1-[3-chloro-4-(3-phenoxypropoxy)phenyl]-N-methylmethanamine
CID 62936941
1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine
CID 114318854
1-[2-[(E)-but-2-enoxy]-6-chlorophenyl]-N-methylmethanamine
CID 114318815
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 43479857
1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999897
1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 63552208
N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 113276749
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine (CID 114318831) is 1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1OCCCOc1ccccc1.
What is the InChIKey of 1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine?
The InChIKey is PXPCBZRQHZJGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-19-13-15-16(18)9-5-10-17(15)21-12-6-11-20-14-7-3-2-4-8-14/h2-5,7-10,19H,6,11-13H2,1H3.
What are the key properties of 1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine?
1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine has a molecular weight of 305.81 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114318831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).