N-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine

C18H25NO — CID 43503171

IUPACN-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOc1ccc(C)cc1NC1CC2CC1C1CCCC21
InChIInChI=1S/C18H25NO/c1-11-6-7-18(20-2)17(8-11)19-16-10-12-9-15(16)14-5-3-4-13(12)14/h6-8,12-16,19H,3-5,9-10H2,1-2H3
InChIKeyVBTPWIGTTOIBJC-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.24
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43503171) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43503171
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOc1ccc(C)cc1NC1CC2CC1C1CCCC21
InChIInChI=1S/C18H25NO/c1-11-6-7-18(20-2)17(8-11)19-16-10-12-9-15(16)14-5-3-4-13(12)14/h6-8,12-16,19H,3-5,9-10H2,1-2H3
InChIKeyVBTPWIGTTOIBJC-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine
CID 80559082
1-N,3-N-bis(2-methoxy-5-methylphenyl)cyclohexane-1,3-dicarboxamide
CID 60594031
1-[(3,4-dimethoxyphenyl)methyl]-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124735238
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
N-(2-methoxy-5-methylphenyl)oxolan-3-amine
CID 63331725
N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43750113
(2R,6R,8R)-N-[1-(4-methoxy-3-methylsulfonylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 59969382
N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63422790
N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392190
N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072841
N-(2-methoxy-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872051
2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536682

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 43503171) is N-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine is COc1ccc(C)cc1NC1CC2CC1C1CCCC21.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is VBTPWIGTTOIBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-11-6-7-18(20-2)17(8-11)19-16-10-12-9-15(16)14-5-3-4-13(12)14/h6-8,12-16,19H,3-5,9-10H2,1-2H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 271.40 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43503171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).