6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine

C14H18FN — CID 115852356

IUPAC6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)C1C2CCCC21
InChIInChI=1S/C14H18FN/c1-8-7-9(15)5-6-10(8)14(16)13-11-3-2-4-12(11)13/h5-7,11-14H,2-4,16H2,1H3
InChIKeyNRXJTLKWMBGCOQ-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.18
Rot. Bonds2

About 6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine

6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 115852356) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine
PubChem CID115852356
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)C1C2CCCC21
InChIInChI=1S/C14H18FN/c1-8-7-9(15)5-6-10(8)14(16)13-11-3-2-4-12(11)13/h5-7,11-14H,2-4,16H2,1H3
InChIKeyNRXJTLKWMBGCOQ-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
(R)-(4-fluoro-2-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314219
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142839
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65406101
[7-bicyclo[4.1.0]heptanyl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302216
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 65138607
N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 113478717
(3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 113299684

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine (CID 115852356) is 6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine is Cc1cc(F)ccc1C(N)C1C2CCCC21.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is NRXJTLKWMBGCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-8-7-9(15)5-6-10(8)14(16)13-11-3-2-4-12(11)13/h5-7,11-14H,2-4,16H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine?
6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 219.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 115852356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).