N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine

C20H22N2O3 — CID 34980983

IUPACN-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine
SMILESCOc1ccc(OC)c(CN(Cc2nc3ccccc3o2)C2CC2)c1
InChIInChI=1S/C20H22N2O3/c1-23-16-9-10-18(24-2)14(11-16)12-22(15-7-8-15)13-20-21-17-5-3-4-6-19(17)25-20/h3-6,9-11,15H,7-8,12-13H2,1-2H3
InChIKeyOHOLFJZJSHBCSI-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.01
Rot. Bonds7

About N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine

N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine (PubChem CID 34980983) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine
PubChem CID34980983
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine
SMILESCOc1ccc(OC)c(CN(Cc2nc3ccccc3o2)C2CC2)c1
InChIInChI=1S/C20H22N2O3/c1-23-16-9-10-18(24-2)14(11-16)12-22(15-7-8-15)13-20-21-17-5-3-4-6-19(17)25-20/h3-6,9-11,15H,7-8,12-13H2,1-2H3
InChIKeyOHOLFJZJSHBCSI-UHFFFAOYSA-N
XLogP4.01
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 134007205
(E)-3-(1,3-benzoxazol-2-yl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]prop-2-enamide
CID 33080925
2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol
CID 60967481
N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631464
N-[(2,5-dimethoxyphenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 47070103
5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120898371
2-[[1,3-benzoxazol-2-ylmethyl(cyclohexyl)amino]methyl]-4-methyl-6-tritylphenol
CID 139051133
N-[3-(2,5-dimethoxyphenyl)propyl]-1,3-benzoxazol-2-amine
CID 133405981
N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 60589363
N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine
CID 71891918
N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine
CID 43065807
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide
CID 33078382

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine (CID 34980983) is N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine is COc1ccc(OC)c(CN(Cc2nc3ccccc3o2)C2CC2)c1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine?
The InChIKey is OHOLFJZJSHBCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-23-16-9-10-18(24-2)14(11-16)12-22(15-7-8-15)13-20-21-17-5-3-4-6-19(17)25-20/h3-6,9-11,15H,7-8,12-13H2,1-2H3.
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine?
N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine has a molecular weight of 338.41 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 34980983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).