N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine

C17H27NO — CID 106680685

IUPACN-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)cc(C)cc1OC)C1CC1C
InChIInChI=1S/C17H27NO/c1-6-7-18-17(14-10-12(14)3)16-13(4)8-11(2)9-15(16)19-5/h8-9,12,14,17-18H,6-7,10H2,1-5H3
InChIKeyIAPURAMQHONQJN-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.01
Rot. Bonds6

About N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine

N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine (PubChem CID 106680685) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
PubChem CID106680685
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)cc(C)cc1OC)C1CC1C
InChIInChI=1S/C17H27NO/c1-6-7-18-17(14-10-12(14)3)16-13(4)8-11(2)9-15(16)19-5/h8-9,12,14,17-18H,6-7,10H2,1-5H3
InChIKeyIAPURAMQHONQJN-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-bicyclo[2.2.1]heptanyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680892
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 65297277
N-[(2-methylcyclopropyl)-(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 43490270
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine
CID 106680472
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669
N-[(2-ethoxy-5-methylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 62303505
4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106682449
1-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106680447
N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 106680815
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195
N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine
CID 106682226

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine (CID 106680685) is N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine is CCCNC(c1c(C)cc(C)cc1OC)C1CC1C.
What is the InChIKey of N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The InChIKey is IAPURAMQHONQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-7-18-17(14-10-12(14)3)16-13(4)8-11(2)9-15(16)19-5/h8-9,12,14,17-18H,6-7,10H2,1-5H3.
What are the key properties of N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 106680685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).