N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine

C14H19FN2O2 — CID 107398261

IUPACN-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine
SMILESCCN(Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCC1
InChIInChI=1S/C14H19FN2O2/c1-2-16(9-11-4-3-5-11)10-12-6-7-14(17(18)19)13(15)8-12/h6-8,11H,2-5,9-10H2,1H3
InChIKeyYDEQXFVHEZMJTK-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.36
Rot. Bonds6

About N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine

N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine (PubChem CID 107398261) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine
PubChem CID107398261
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine
SMILESCCN(Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCC1
InChIInChI=1S/C14H19FN2O2/c1-2-16(9-11-4-3-5-11)10-12-6-7-14(17(18)19)13(15)8-12/h6-8,11H,2-5,9-10H2,1H3
InChIKeyYDEQXFVHEZMJTK-UHFFFAOYSA-N
XLogP3.36
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-fluorobenzonitrile
CID 114012369
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 81437108
N-[(3-fluoro-4-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715680
methyl 4-[[cyclopropylmethyl(ethyl)amino]methyl]-2-fluorobenzoate
CID 103749438
N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
CID 107398303
N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide
CID 62680746
N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine
CID 107401482
2-[(3-fluoro-4-nitrophenyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513491
N-[[3-[[cyclobutylmethyl(ethyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107455919
N-(cyclopropylmethyl)-N-[(3,4-difluorophenyl)methyl]propan-1-amine
CID 78820869
4-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methoxybenzoic acid
CID 107402347
[4-[cyclobutylmethyl(methyl)amino]-3-nitrophenyl]methanol
CID 62860086

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine (CID 107398261) is N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine is CCN(Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine?
The InChIKey is YDEQXFVHEZMJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-16(9-11-4-3-5-11)10-12-6-7-14(17(18)19)13(15)8-12/h6-8,11H,2-5,9-10H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine?
N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine has a molecular weight of 266.32 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 107398261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).