N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline

C17H27FN2 — CID 107402459

IUPACN-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline
SMILESCCCNCc1cc(F)cc(N(CC)CC2CCC2)c1
InChIInChI=1S/C17H27FN2/c1-3-8-19-12-15-9-16(18)11-17(10-15)20(4-2)13-14-6-5-7-14/h9-11,14,19H,3-8,12-13H2,1-2H3
InChIKeyZGDMMKHRGMDZTI-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.95
Rot. Bonds8

About N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline

N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline (PubChem CID 107402459) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline
PubChem CID107402459
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline
SMILESCCCNCc1cc(F)cc(N(CC)CC2CCC2)c1
InChIInChI=1S/C17H27FN2/c1-3-8-19-12-15-9-16(18)11-17(10-15)20(4-2)13-14-6-5-7-14/h9-11,14,19H,3-8,12-13H2,1-2H3
InChIKeyZGDMMKHRGMDZTI-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline
CID 107402449
N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 107399952
N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
CID 106530735
[3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol
CID 106529769
3-fluoro-N-methyl-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)aniline
CID 106532265
N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline
CID 106532103
N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399963
N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63956847
N-[(3-bromo-5-fluorophenyl)methyl]propan-1-amine
CID 43248382
N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline
CID 107399978
3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile
CID 106643489
N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline
CID 55146589

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline (CID 107402459) is N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline is CCCNCc1cc(F)cc(N(CC)CC2CCC2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline?
The InChIKey is ZGDMMKHRGMDZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-8-19-12-15-9-16(18)11-17(10-15)20(4-2)13-14-6-5-7-14/h9-11,14,19H,3-8,12-13H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline?
N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline has a molecular weight of 278.42 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline is sourced from PubChem (CID 107402459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).