N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine

C14H19ClN4O — CID 43525018

IUPACN-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1nnc(C)n1C
InChIInChI=1S/C14H19ClN4O/c1-4-16-8-11-7-12(15)5-6-13(11)20-9-14-18-17-10(2)19(14)3/h5-7,16H,4,8-9H2,1-3H3
InChIKeyHKHKXLZBEJMDEI-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.47
Rot. Bonds6

About N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine

N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 43525018) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID43525018
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC NameN-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1nnc(C)n1C
InChIInChI=1S/C14H19ClN4O/c1-4-16-8-11-7-12(15)5-6-13(11)20-9-14-18-17-10(2)19(14)3/h5-7,16H,4,8-9H2,1-3H3
InChIKeyHKHKXLZBEJMDEI-UHFFFAOYSA-N
XLogP2.47
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 43525012
N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 60881637
N-[[3-bromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63046028
5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]benzoic acid
CID 43524871
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
1-[5-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 43525011
(1R)-1-[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 78933015
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 60881078
N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696420
N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine
CID 65175905

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine (CID 43525018) is N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1OCc1nnc(C)n1C.
What is the InChIKey of N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is HKHKXLZBEJMDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-4-16-8-11-7-12(15)5-6-13(11)20-9-14-18-17-10(2)19(14)3/h5-7,16H,4,8-9H2,1-3H3.
What are the key properties of N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine?
N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 294.79 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 43525018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).