N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline

C15H23FN2 — CID 62860466

IUPACN-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
SMILESCCNCc1ccc(N(C)CC2CCC2)c(F)c1
InChIInChI=1S/C15H23FN2/c1-3-17-10-13-7-8-15(14(16)9-13)18(2)11-12-5-4-6-12/h7-9,12,17H,3-6,10-11H2,1-2H3
InChIKeyUXMBEONOWKXBBJ-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.17
Rot. Bonds6

About N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline

N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline (PubChem CID 62860466) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
PubChem CID62860466
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
SMILESCCNCc1ccc(N(C)CC2CCC2)c(F)c1
InChIInChI=1S/C15H23FN2/c1-3-17-10-13-7-8-15(14(16)9-13)18(2)11-12-5-4-6-12/h7-9,12,17H,3-6,10-11H2,1-2H3
InChIKeyUXMBEONOWKXBBJ-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63071120
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61432117
4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63631090
N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292
2-fluoro-N-methyl-N-(oxan-3-ylmethyl)-4-(propylaminomethyl)aniline
CID 63713646
[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
CID 60984491
4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63783457
N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 61414703
N-(cyclobutylmethyl)-N-ethyl-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399971
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-methylcycloheptanamine
CID 107454386
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528450

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline?
The IUPAC name of N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline (CID 62860466) is N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline.
What is the SMILES notation for N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline?
The canonical SMILES for N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline is CCNCc1ccc(N(C)CC2CCC2)c(F)c1.
What is the InChIKey of N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline?
The InChIKey is UXMBEONOWKXBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-17-10-13-7-8-15(14(16)9-13)18(2)11-12-5-4-6-12/h7-9,12,17H,3-6,10-11H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline?
N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline has a molecular weight of 250.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline is sourced from PubChem (CID 62860466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).