[(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine

C14H20N2 — CID 124845102

IUPAC[(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
SMILESCc1cccc(CN2C[C@H]3C[C@]3(CN)C2)c1
InChIInChI=1S/C14H20N2/c1-11-3-2-4-12(5-11)7-16-8-13-6-14(13,9-15)10-16/h2-5,13H,6-10,15H2,1H3/t13-,14+/m1/s1
InChIKeyCNRWJJZHBABOCP-KGLIPLIRSA-N
MW216.33 g/mol
LogP1.78
Rot. Bonds3

About [(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine

[(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine (PubChem CID 124845102) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is [(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine.

Molecular Properties

Compound Name[(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
PubChem CID124845102
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name[(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
SMILESCc1cccc(CN2C[C@H]3C[C@]3(CN)C2)c1
InChIInChI=1S/C14H20N2/c1-11-3-2-4-12(5-11)7-16-8-13-6-14(13,9-15)10-16/h2-5,13H,6-10,15H2,1H3/t13-,14+/m1/s1
InChIKeyCNRWJJZHBABOCP-KGLIPLIRSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 99109794
[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 102547836
2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide
CID 124807506
(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)methanamine
CID 121205300
[(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine
CID 129498513
3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 171523193
N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanecarboxamide
CID 97420640
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol
CID 138810919
3-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64834386
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine?
The IUPAC name of [(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine (CID 124845102) is [(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine.
What is the SMILES notation for [(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine?
The canonical SMILES for [(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine is Cc1cccc(CN2C[C@H]3C[C@]3(CN)C2)c1.
What is the InChIKey of [(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine?
The InChIKey is CNRWJJZHBABOCP-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-3-2-4-12(5-11)7-16-8-13-6-14(13,9-15)10-16/h2-5,13H,6-10,15H2,1H3/t13-,14+/m1/s1.
What are the key properties of [(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine?
[(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine has a molecular weight of 216.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine is sourced from PubChem (CID 124845102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).