1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine

C14H18ClN3O — CID 102999897

IUPAC1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OCCc1ccnn1C
InChIInChI=1S/C14H18ClN3O/c1-16-10-12-13(15)4-3-5-14(12)19-9-7-11-6-8-17-18(11)2/h3-6,8,16H,7,9-10H2,1-2H3
InChIKeyUYFUNBGNNMBORR-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.41
Rot. Bonds6

About 1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine

1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 102999897) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID102999897
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OCCc1ccnn1C
InChIInChI=1S/C14H18ClN3O/c1-16-10-12-13(15)4-3-5-14(12)19-9-7-11-6-8-17-18(11)2/h3-6,8,16H,7,9-10H2,1-2H3
InChIKeyUYFUNBGNNMBORR-UHFFFAOYSA-N
XLogP2.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999751
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine
CID 102999983
(E)-3-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]prop-2-enoic acid
CID 103003847
5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole
CID 103016138
1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine
CID 114318647
5-[2-(5-bromo-2-chlorophenoxy)ethyl]-1-methylpyrazole
CID 103002806
1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999612
1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine
CID 114318831
1-[2-chloro-6-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 114318632
1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 113276648
2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 102999753

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine (CID 102999897) is 1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1OCCc1ccnn1C.
What is the InChIKey of 1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is UYFUNBGNNMBORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-16-10-12-13(15)4-3-5-14(12)19-9-7-11-6-8-17-18(11)2/h3-6,8,16H,7,9-10H2,1-2H3.
What are the key properties of 1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102999897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).