N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine

C11H18FN — CID 167018962

IUPACN-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1C=CC(F)=CC1
InChIInChI=1S/C11H18FN/c1-9(2)13(3)8-10-4-6-11(12)7-5-10/h4,6-7,9-10H,5,8H2,1-3H3
InChIKeyCIPOCILQDOZXEY-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.76
Rot. Bonds3

About N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine

N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine (PubChem CID 167018962) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine
PubChem CID167018962
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC NameN-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1C=CC(F)=CC1
InChIInChI=1S/C11H18FN/c1-9(2)13(3)8-10-4-6-11(12)7-5-10/h4,6-7,9-10H,5,8H2,1-3H3
InChIKeyCIPOCILQDOZXEY-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 22637871
N-butyl-1-fluoro-N-(fluoromethyl)cyclohexa-2,4-dien-1-amine
CID 22638271
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
N-butyl-N-ethyl-1-fluorocyclohexa-2,4-dien-1-amine
CID 23123359
1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 68393518
4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine
CID 69078269
7-Fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
CID 91218244
(4-Fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium
CID 123839803
(4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine
CID 126490053
1-cyclohexa-1,5-dien-1-yl-N-(fluoromethyl)-N-prop-2-ynylpropan-2-amine
CID 129045765
1-[4-[[Ethyl(methyl)amino]methyl]cyclohexa-1,5-dien-1-yl]-3-fluoropropan-2-amine
CID 129313214
(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine
CID 134365675

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine (CID 167018962) is N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine is CC(C)N(C)CC1C=CC(F)=CC1.
What is the InChIKey of N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine?
The InChIKey is CIPOCILQDOZXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-9(2)13(3)8-10-4-6-11(12)7-5-10/h4,6-7,9-10H,5,8H2,1-3H3.
What are the key properties of N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine?
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine has a molecular weight of 183.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 167018962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).