N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

C16H24N4O — CID 103398948

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cccc(CNCc2cn(C(C)(C)C)nn2)c1
InChIInChI=1S/C16H24N4O/c1-16(2,3)20-11-15(18-19-20)10-17-9-13-6-5-7-14(8-13)12-21-4/h5-8,11,17H,9-10,12H2,1-4H3
InChIKeyXDSZEZNGVUIDLG-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.47
Rot. Bonds6

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

N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (PubChem CID 103398948) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
PubChem CID103398948
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cccc(CNCc2cn(C(C)(C)C)nn2)c1
InChIInChI=1S/C16H24N4O/c1-16(2,3)20-11-15(18-19-20)10-17-9-13-6-5-7-14(8-13)12-21-4/h5-8,11,17H,9-10,12H2,1-4H3
InChIKeyXDSZEZNGVUIDLG-UHFFFAOYSA-N
XLogP2.47
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 60957310
3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268557
N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 103527049
1-(4-bromophenyl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine
CID 103398570
N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 119047912
N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 103398556
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylpropan-1-amine
CID 103398586
1-[3-(methoxymethyl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54896552
N-[(1-ethenylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 106936577
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 55031559
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
1-[3-(methoxymethyl)phenyl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 60957183

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (CID 103398948) is N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is COCc1cccc(CNCc2cn(C(C)(C)C)nn2)c1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The InChIKey is XDSZEZNGVUIDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-16(2,3)20-11-15(18-19-20)10-17-9-13-6-5-7-14(8-13)12-21-4/h5-8,11,17H,9-10,12H2,1-4H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine has a molecular weight of 288.40 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-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 103398948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).