N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline

C15H18FN — CID 43764109

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NCC1CC2C=CC1C2
InChIInChI=1S/C15H18FN/c1-10-2-5-14(16)8-15(10)17-9-13-7-11-3-4-12(13)6-11/h2-5,8,11-13,17H,6-7,9H2,1H3
InChIKeyKCKADYUUJQOHFO-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.76
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline (PubChem CID 43764109) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline
PubChem CID43764109
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NCC1CC2C=CC1C2
InChIInChI=1S/C15H18FN/c1-10-2-5-14(16)8-15(10)17-9-13-7-11-3-4-12(13)6-11/h2-5,8,11-13,17H,6-7,9H2,1H3
InChIKeyKCKADYUUJQOHFO-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,5-difluoro-4-methylaniline
CID 103585133
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-bromo-5-methylaniline
CID 82761415
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dimethoxyaniline
CID 43758056
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide
CID 43781239
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide
CID 43778979
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2,6-difluoroaniline
CID 65467908
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline
CID 55192947
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
5-[(4-fluoro-3-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene
CID 129199689
1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778721
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine
CID 115692610
N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28582966

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline (CID 43764109) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline is Cc1ccc(F)cc1NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline?
The InChIKey is KCKADYUUJQOHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-10-2-5-14(16)8-15(10)17-9-13-7-11-3-4-12(13)6-11/h2-5,8,11-13,17H,6-7,9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline has a molecular weight of 231.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline is sourced from PubChem (CID 43764109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).