1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine

C17H28ClNO — CID 114318647

IUPAC1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine
SMILESCCCCCCCCCOc1cccc(Cl)c1CNC
InChIInChI=1S/C17H28ClNO/c1-3-4-5-6-7-8-9-13-20-17-12-10-11-16(18)15(17)14-19-2/h10-12,19H,3-9,13-14H2,1-2H3
InChIKeySRRNFDYDPOEPIM-UHFFFAOYSA-N
MW297.87 g/mol
LogP5.19
Rot. Bonds11

About 1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine

1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine (PubChem CID 114318647) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine
PubChem CID114318647
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine
SMILESCCCCCCCCCOc1cccc(Cl)c1CNC
InChIInChI=1S/C17H28ClNO/c1-3-4-5-6-7-8-9-13-20-17-12-10-11-16(18)15(17)14-19-2/h10-12,19H,3-9,13-14H2,1-2H3
InChIKeySRRNFDYDPOEPIM-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.87
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine
CID 114318831
N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 113276749
2-(2-chloro-6-decoxyphenyl)ethanamine
CID 114321578
1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 114318632
methyl 4-[3-chloro-2-(methylaminomethyl)phenoxy]butanoate
CID 114318736
1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine
CID 114318854
2-chloro-6-hexoxybenzonitrile
CID 63513082
1,3-di(pentadecoxy)-2-propylbenzene
CID 91341779
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-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999897

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine (CID 114318647) is 1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine is CCCCCCCCCOc1cccc(Cl)c1CNC.
What is the InChIKey of 1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine?
The InChIKey is SRRNFDYDPOEPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-3-4-5-6-7-8-9-13-20-17-12-10-11-16(18)15(17)14-19-2/h10-12,19H,3-9,13-14H2,1-2H3.
What are the key properties of 1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine?
1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine has a molecular weight of 297.87 g/mol, XLogP of 5.19, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 114318647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).