N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine

C15H19ClN2OS — CID 114319395

IUPACN-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1OCc1csc(C)n1
InChIInChI=1S/C15H19ClN2OS/c1-3-7-17-8-13-14(16)5-4-6-15(13)19-9-12-10-20-11(2)18-12/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyCDWQCMPRFOMKJL-UHFFFAOYSA-N
MW310.85 g/mol
LogP4.18
Rot. Bonds7

About N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine

N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 114319395) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID114319395
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1OCc1csc(C)n1
InChIInChI=1S/C15H19ClN2OS/c1-3-7-17-8-13-14(16)5-4-6-15(13)19-9-12-10-20-11(2)18-12/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyCDWQCMPRFOMKJL-UHFFFAOYSA-N
XLogP4.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 114319554
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60960976
N-[[2-chloro-6-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114319406
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 114319478
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 114318303
1-(2,6-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62799001
N-[(2-chlorophenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9401470
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine
CID 106437071
2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol
CID 114319540

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine (CID 114319395) is N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1c(Cl)cccc1OCc1csc(C)n1.
What is the InChIKey of N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is CDWQCMPRFOMKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-3-7-17-8-13-14(16)5-4-6-15(13)19-9-12-10-20-11(2)18-12/h4-6,10,17H,3,7-9H2,1-2H3.
What are the key properties of N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 310.85 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 114319395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).