N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline

C14H18FN — CID 62810912

IUPACN-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline
SMILESCc1cc(NCC2CC=CCC2)ccc1F
InChIInChI=1S/C14H18FN/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-3,7-9,12,16H,4-6,10H2,1H3
InChIKeyOKKMPOBADQOGHA-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.90
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline

N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline (PubChem CID 62810912) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline
PubChem CID62810912
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline
SMILESCc1cc(NCC2CC=CCC2)ccc1F
InChIInChI=1S/C14H18FN/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-3,7-9,12,16H,4-6,10H2,1H3
InChIKeyOKKMPOBADQOGHA-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.90
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-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline
CID 61059642
4-bromo-N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)aniline
CID 43680365
2-chloro-4-N-(cyclohex-3-en-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 55191974
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 43746332
N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide
CID 43200802
N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine
CID 43687653
N-(bromomethyl)-4-fluoro-3-methylaniline
CID 115261522
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline
CID 28614317
4-bromo-N-(cyclohex-3-en-1-ylmethyl)-2,6-difluoroaniline
CID 65470058
N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline
CID 22747580
3-chloro-N-(cyclohex-3-en-1-ylmethyl)-4-(difluoromethoxy)aniline
CID 43104519
[5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol
CID 54880206

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline (CID 62810912) is N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline is Cc1cc(NCC2CC=CCC2)ccc1F.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline?
The InChIKey is OKKMPOBADQOGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-3,7-9,12,16H,4-6,10H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline?
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline has a molecular weight of 219.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline is sourced from PubChem (CID 62810912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).