[2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine

C16H24N2 — CID 114196298

IUPAC[2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine
SMILESNCc1ccccc1CN1CC2CCCC(C2)C1
InChIInChI=1S/C16H24N2/c17-9-15-6-1-2-7-16(15)12-18-10-13-4-3-5-14(8-13)11-18/h1-2,6-7,13-14H,3-5,8-12,17H2
InChIKeyIRMUCJARIQBOEI-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.77
Rot. Bonds3

About [2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine

[2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine (PubChem CID 114196298) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine
PubChem CID114196298
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name[2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine
SMILESNCc1ccccc1CN1CC2CCCC(C2)C1
InChIInChI=1S/C16H24N2/c17-9-15-6-1-2-7-16(15)12-18-10-13-4-3-5-14(8-13)11-18/h1-2,6-7,13-14H,3-5,8-12,17H2
InChIKeyIRMUCJARIQBOEI-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine
CID 84793982
1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol
CID 131137641
[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenyl]methanamine
CID 115560349
[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 15121448
2-[[2-(aminomethyl)phenyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103980082
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 114081799
[2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62091604
[2-(2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]methanamine
CID 79677418
2-[(6,6-dioxo-6λ6-thia-3-azabicyclo[3.1.1]heptan-3-yl)methyl]aniline
CID 84804280
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]methyl]propan-2-amine
CID 115562255
[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113021
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811

Frequently Asked Questions

What is the IUPAC name of [2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine?
The IUPAC name of [2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine (CID 114196298) is [2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine?
The canonical SMILES for [2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine is NCc1ccccc1CN1CC2CCCC(C2)C1.
What is the InChIKey of [2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine?
The InChIKey is IRMUCJARIQBOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-9-15-6-1-2-7-16(15)12-18-10-13-4-3-5-14(8-13)11-18/h1-2,6-7,13-14H,3-5,8-12,17H2.
What are the key properties of [2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine?
[2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine has a molecular weight of 244.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 114196298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).