N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine

C18H27FN2 — CID 153298312

IUPACN-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine
SMILESC[C@@H]1C[C@@]2(CNCc3ccccc3F)C[C@H]2N1C(C)(C)C
InChIInChI=1S/C18H27FN2/c1-13-9-18(10-16(18)21(13)17(2,3)4)12-20-11-14-7-5-6-8-15(14)19/h5-8,13,16,20H,9-12H2,1-4H3/t13-,16-,18+/m1/s1
InChIKeyVLASLZDYWCOMOM-QBIMZIAESA-N
MW290.43 g/mol
LogP3.57
Rot. Bonds4

About N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine

N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine (PubChem CID 153298312) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine
PubChem CID153298312
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC NameN-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine
SMILESC[C@@H]1C[C@@]2(CNCc3ccccc3F)C[C@H]2N1C(C)(C)C
InChIInChI=1S/C18H27FN2/c1-13-9-18(10-16(18)21(13)17(2,3)4)12-20-11-14-7-5-6-8-15(14)19/h5-8,13,16,20H,9-12H2,1-4H3/t13-,16-,18+/m1/s1
InChIKeyVLASLZDYWCOMOM-QBIMZIAESA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine with MolForge

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Related Compounds

1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115406
1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822886
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478431
1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine
CID 54866682
2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane
CID 176632123
N-[(2-fluorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643365
[(2-fluorophenyl)methylamino]methanethiol
CID 115227992
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993727
2-[(2-fluorophenyl)methylamino]acetonitrile
CID 28582566
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile
CID 115248027

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine?
The IUPAC name of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine (CID 153298312) is N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine.
What is the SMILES notation for N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine?
The canonical SMILES for N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine is C[C@@H]1C[C@@]2(CNCc3ccccc3F)C[C@H]2N1C(C)(C)C.
What is the InChIKey of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine?
The InChIKey is VLASLZDYWCOMOM-QBIMZIAESA-N. The full InChI is InChI=1S/C18H27FN2/c1-13-9-18(10-16(18)21(13)17(2,3)4)12-20-11-14-7-5-6-8-15(14)19/h5-8,13,16,20H,9-12H2,1-4H3/t13-,16-,18+/m1/s1.
What are the key properties of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine?
N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine has a molecular weight of 290.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine is sourced from PubChem (CID 153298312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).