1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine

C20H29N3O2 — CID 146000296

IUPAC1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1nonc1COc1ccccc1CNC(C)CC1CCCCC1
InChIInChI=1S/C20H29N3O2/c1-15(12-17-8-4-3-5-9-17)21-13-18-10-6-7-11-20(18)24-14-19-16(2)22-25-23-19/h6-7,10-11,15,17,21H,3-5,8-9,12-14H2,1-2H3
InChIKeyMCLIDKYVLKSHJF-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.41
Rot. Bonds8

About 1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine

1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 146000296) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID146000296
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1nonc1COc1ccccc1CNC(C)CC1CCCCC1
InChIInChI=1S/C20H29N3O2/c1-15(12-17-8-4-3-5-9-17)21-13-18-10-6-7-11-20(18)24-14-19-16(2)22-25-23-19/h6-7,10-11,15,17,21H,3-5,8-9,12-14H2,1-2H3
InChIKeyMCLIDKYVLKSHJF-UHFFFAOYSA-N
XLogP4.41
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

1-cyclohexyl-N-[[2-[(5-methylisoxazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 146000298
(1R)-1-[4-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 64062198
N-ethyl-1-[4-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 64064111
N-[1-[4-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 64064112
1-[4-Fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 64064701
1-[4-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylethanamine
CID 64064702
[4-[(4-Methyl-1,2,5-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
CID 64064704
N-methyl-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
CID 64064705
2-[4-[(4-Methyl-1,2,5-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 64067571
(1S)-1-[4-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78956511
N-[[3,5-difluoro-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 79882758
1-[3,5-Difluoro-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine
CID 79882791

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of 1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine (CID 146000296) is 1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine is Cc1nonc1COc1ccccc1CNC(C)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is MCLIDKYVLKSHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15(12-17-8-4-3-5-9-17)21-13-18-10-6-7-11-20(18)24-14-19-16(2)22-25-23-19/h6-7,10-11,15,17,21H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 343.47 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 146000296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).