[(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine

C14H20N2 — CID 99109794

IUPAC[(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
SMILESCc1ccc(CN2C[C@@H]3C[C@@]3(CN)C2)cc1
InChIInChI=1S/C14H20N2/c1-11-2-4-12(5-3-11)7-16-8-13-6-14(13,9-15)10-16/h2-5,13H,6-10,15H2,1H3/t13-,14+/m0/s1
InChIKeyKLKXQMSUZMOTNO-UONOGXRCSA-N
MW216.33 g/mol
LogP1.78
Rot. Bonds3

About [(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine

[(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine (PubChem CID 99109794) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is [(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine.

Molecular Properties

Compound Name[(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
PubChem CID99109794
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name[(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
SMILESCc1ccc(CN2C[C@@H]3C[C@@]3(CN)C2)cc1
InChIInChI=1S/C14H20N2/c1-11-2-4-12(5-3-11)7-16-8-13-6-14(13,9-15)10-16/h2-5,13H,6-10,15H2,1H3/t13-,14+/m0/s1
InChIKeyKLKXQMSUZMOTNO-UONOGXRCSA-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

[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 102547836
[(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 124845102
[(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine
CID 129498513
(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)methanamine
CID 121205300
6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol
CID 138810919
3-[6-[[(1R,5S)-1-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728902
(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine
CID 83825709
2-[(4-methylphenyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926733
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64842290
1-benzyl-3,3-difluoro-4-(4-methylphenyl)pyrrolidine
CID 122380731

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine?
The IUPAC name of [(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine (CID 99109794) is [(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine.
What is the SMILES notation for [(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine?
The canonical SMILES for [(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine is Cc1ccc(CN2C[C@@H]3C[C@@]3(CN)C2)cc1.
What is the InChIKey of [(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine?
The InChIKey is KLKXQMSUZMOTNO-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-2-4-12(5-3-11)7-16-8-13-6-14(13,9-15)10-16/h2-5,13H,6-10,15H2,1H3/t13-,14+/m0/s1.
What are the key properties of [(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine?
[(1R,5R)-3-[(4-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 [(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine is sourced from PubChem (CID 99109794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).