1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine

C19H22N2 — CID 66775578

IUPAC1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine
SMILESc1ccc(-c2ccc(CNCC3C4CNCC34)cc2)cc1
InChIInChI=1S/C19H22N2/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)10-20-11-17-18-12-21-13-19(17)18/h1-9,17-21H,10-13H2
InChIKeyVDRMTNAOXAMELG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.91
Rot. Bonds5

About 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine

1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine (PubChem CID 66775578) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine
PubChem CID66775578
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine
SMILESc1ccc(-c2ccc(CNCC3C4CNCC34)cc2)cc1
InChIInChI=1S/C19H22N2/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)10-20-11-17-18-12-21-13-19(17)18/h1-9,17-21H,10-13H2
InChIKeyVDRMTNAOXAMELG-UHFFFAOYSA-N
XLogP2.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine?
The IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine (CID 66775578) is 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine is c1ccc(-c2ccc(CNCC3C4CNCC34)cc2)cc1.
What is the InChIKey of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine?
The InChIKey is VDRMTNAOXAMELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)10-20-11-17-18-12-21-13-19(17)18/h1-9,17-21H,10-13H2.
What are the key properties of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine?
1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.1.0]hexan-6-yl)-N-[(4-phenylphenyl)methyl]methanamine is sourced from PubChem (CID 66775578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).