N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine

C20H31N5O2 — CID 119047912

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine
SMILESCC(C)(C)n1cc(CNCc2cccc(OCCN3CCOCC3)c2)nn1
InChIInChI=1S/C20H31N5O2/c1-20(2,3)25-16-18(22-23-25)15-21-14-17-5-4-6-19(13-17)27-12-9-24-7-10-26-11-8-24/h4-6,13,16,21H,7-12,14-15H2,1-3H3
InChIKeyWAOZPYNDBZGZLW-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.03
Rot. Bonds8

About N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine

N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine (PubChem CID 119047912) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine
PubChem CID119047912
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine
SMILESCC(C)(C)n1cc(CNCc2cccc(OCCN3CCOCC3)c2)nn1
InChIInChI=1S/C20H31N5O2/c1-20(2,3)25-16-18(22-23-25)15-21-14-17-5-4-6-19(13-17)27-12-9-24-7-10-26-11-8-24/h4-6,13,16,21H,7-12,14-15H2,1-3H3
InChIKeyWAOZPYNDBZGZLW-UHFFFAOYSA-N
XLogP2.03
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 39400901
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 103527049
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
2-(3,4-dichlorophenyl)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 52807125
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277
1,2-dimethyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110918710
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
3-(4-methylpyrazol-1-yl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626511
4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
CID 68727410
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111594609
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine (CID 119047912) is N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine is CC(C)(C)n1cc(CNCc2cccc(OCCN3CCOCC3)c2)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine?
The InChIKey is WAOZPYNDBZGZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-20(2,3)25-16-18(22-23-25)15-21-14-17-5-4-6-19(13-17)27-12-9-24-7-10-26-11-8-24/h4-6,13,16,21H,7-12,14-15H2,1-3H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine?
N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine has a molecular weight of 373.50 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 119047912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).