(1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine

C15H21ClN4O — CID 164638397

IUPAC(1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine
SMILESCCn1nnc(C)c1CN[C@@H](COC)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN4O/c1-4-20-15(11(2)18-19-20)9-17-14(10-21-3)12-6-5-7-13(16)8-12/h5-8,14,17H,4,9-10H2,1-3H3/t14-/m0/s1
InChIKeyBNVAUEQMFUXPRN-AWEZNQCLSA-N
MW308.81 g/mol
LogP2.74
Rot. Bonds7

About (1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine

(1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine (PubChem CID 164638397) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine
PubChem CID164638397
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name(1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine
SMILESCCn1nnc(C)c1CN[C@@H](COC)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN4O/c1-4-20-15(11(2)18-19-20)9-17-14(10-21-3)12-6-5-7-13(16)8-12/h5-8,14,17H,4,9-10H2,1-3H3/t14-/m0/s1
InChIKeyBNVAUEQMFUXPRN-AWEZNQCLSA-N
XLogP2.74
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[[1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 66192683
N-[[1-[(2-chloro-4-fluorophenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 66207054
N-[[1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 102621499
N-[[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 102863903
N-[[1-[(3-chloro-4-fluorophenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 103042120
N-[[1-[(5-chloro-2-fluorophenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 103051429
N-[[1-[(4-chloro-3-fluorophenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 107889094
2-(4-Chloro-3-fluorophenyl)-2-[(3-methyltriazol-4-yl)methylamino]ethanol
CID 109943360
N-[[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 114862141
N-[[1-[2-[(3-chlorophenyl)methoxy]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 65125203
N-[[1-[2-[(3-chlorophenyl)methoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 65125305
1-[1-[2-[(3-chlorophenyl)methoxy]ethyl]triazol-4-yl]-N-methylmethanamine
CID 65125596

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine (CID 164638397) is (1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine is CCn1nnc(C)c1CN[C@@H](COC)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is BNVAUEQMFUXPRN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-4-20-15(11(2)18-19-20)9-17-14(10-21-3)12-6-5-7-13(16)8-12/h5-8,14,17H,4,9-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine?
(1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 308.81 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 164638397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).