N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline

C17H26F2N2 — CID 107399963

IUPACN-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
SMILESCCN(CC1CCC1)c1c(F)cc(CNC(C)C)cc1F
InChIInChI=1S/C17H26F2N2/c1-4-21(11-13-6-5-7-13)17-15(18)8-14(9-16(17)19)10-20-12(2)3/h8-9,12-13,20H,4-7,10-11H2,1-3H3
InChIKeyRVPRAJOMWQSPSY-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.09
Rot. Bonds7

About N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline

N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline (PubChem CID 107399963) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
PubChem CID107399963
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
SMILESCCN(CC1CCC1)c1c(F)cc(CNC(C)C)cc1F
InChIInChI=1S/C17H26F2N2/c1-4-21(11-13-6-5-7-13)17-15(18)8-14(9-16(17)19)10-20-12(2)3/h8-9,12-13,20H,4-7,10-11H2,1-3H3
InChIKeyRVPRAJOMWQSPSY-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.09
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)-N-ethyl-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399971
N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline
CID 63954399
N-cyclopentyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 63551153
N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 63051956
1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
CID 107397225
4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline
CID 63938764
N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 107401875
N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63956847
4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 107398799
2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol
CID 63075915
N-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 63052624
4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 107399003

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline (CID 107399963) is N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline is CCN(CC1CCC1)c1c(F)cc(CNC(C)C)cc1F.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline?
The InChIKey is RVPRAJOMWQSPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-4-21(11-13-6-5-7-13)17-15(18)8-14(9-16(17)19)10-20-12(2)3/h8-9,12-13,20H,4-7,10-11H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline?
N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline has a molecular weight of 296.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 107399963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).