N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H20N2 — CID 105470482

IUPACN-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1cccc(NC2CC3CCC(C2)N3)c1
InChIInChI=1S/C14H20N2/c1-10-3-2-4-11(7-10)16-14-8-12-5-6-13(9-14)15-12/h2-4,7,12-16H,5-6,8-9H2,1H3
InChIKeyCHVFOLLRJPEYSD-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.69
Rot. Bonds2

About N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 105470482) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID105470482
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1cccc(NC2CC3CCC(C2)N3)c1
InChIInChI=1S/C14H20N2/c1-10-3-2-4-11(7-10)16-14-8-12-5-6-13(9-14)15-12/h2-4,7,12-16H,5-6,8-9H2,1H3
InChIKeyCHVFOLLRJPEYSD-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678
3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline
CID 95376117
1-N-(3-methylphenyl)cyclohexane-1,3-diamine
CID 79458335
N-[3-(2-chlorophenyl)cyclobutyl]-3-methylaniline
CID 43632546
4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol
CID 105473051
2,7-dimethyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 23911139
N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087459
N-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62252990
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
3-[fluoro-(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 105493409
N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755634
4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43633563

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 105470482) is N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is Cc1cccc(NC2CC3CCC(C2)N3)c1.
What is the InChIKey of N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CHVFOLLRJPEYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-3-2-4-11(7-10)16-14-8-12-5-6-13(9-14)15-12/h2-4,7,12-16H,5-6,8-9H2,1H3.
What are the key properties of N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 216.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 105470482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).