N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline

C17H27FN2 — CID 63071120

IUPACN-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1ccc(N(C)CC2CCC2)c(F)c1
InChIInChI=1S/C17H27FN2/c1-13(2)10-19-11-15-7-8-17(16(18)9-15)20(3)12-14-5-4-6-14/h7-9,13-14,19H,4-6,10-12H2,1-3H3
InChIKeyJWHWNJCTFVMEKQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.81
Rot. Bonds7

About N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline

N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline (PubChem CID 63071120) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
PubChem CID63071120
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1ccc(N(C)CC2CCC2)c(F)c1
InChIInChI=1S/C17H27FN2/c1-13(2)10-19-11-15-7-8-17(16(18)9-15)20(3)12-14-5-4-6-14/h7-9,13-14,19H,4-6,10-12H2,1-3H3
InChIKeyJWHWNJCTFVMEKQ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.81
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)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 62860466
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107454897
N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline
CID 63550802
4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63631090
N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63630568
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 107455700
N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63072459
2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63058426
4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63783457
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260
2-fluoro-N-methyl-N-(oxan-3-ylmethyl)-4-(propylaminomethyl)aniline
CID 63713646

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline (CID 63071120) is N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline is CC(C)CNCc1ccc(N(C)CC2CCC2)c(F)c1.
What is the InChIKey of N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
The InChIKey is JWHWNJCTFVMEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13(2)10-19-11-15-7-8-17(16(18)9-15)20(3)12-14-5-4-6-14/h7-9,13-14,19H,4-6,10-12H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline has a molecular weight of 278.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63071120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).