N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline

C18H29FN2 — CID 63495148

IUPACN-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
SMILESCCCNCC1(CN(CC)c2cccc(F)c2)CCCC1
InChIInChI=1S/C18H29FN2/c1-3-12-20-14-18(10-5-6-11-18)15-21(4-2)17-9-7-8-16(19)13-17/h7-9,13,20H,3-6,10-12,14-15H2,1-2H3
InChIKeyXVQKJDYEHPAZCN-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.21
Rot. Bonds8

About N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline

N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline (PubChem CID 63495148) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
PubChem CID63495148
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
SMILESCCCNCC1(CN(CC)c2cccc(F)c2)CCCC1
InChIInChI=1S/C18H29FN2/c1-3-12-20-14-18(10-5-6-11-18)15-21(4-2)17-9-7-8-16(19)13-17/h7-9,13,20H,3-6,10-12,14-15H2,1-2H3
InChIKeyXVQKJDYEHPAZCN-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.21
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-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline
CID 63494586
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline
CID 65003098
4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 63493700
N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline
CID 63129780
[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol
CID 63745907
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62263802
3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 62256771
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 105374909
N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline
CID 106976356
N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62261568
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline
CID 115449003
[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol
CID 62272788

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline?
The IUPAC name of N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline (CID 63495148) is N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline.
What is the SMILES notation for N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline?
The canonical SMILES for N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline is CCCNCC1(CN(CC)c2cccc(F)c2)CCCC1.
What is the InChIKey of N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline?
The InChIKey is XVQKJDYEHPAZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-3-12-20-14-18(10-5-6-11-18)15-21(4-2)17-9-7-8-16(19)13-17/h7-9,13,20H,3-6,10-12,14-15H2,1-2H3.
What are the key properties of N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline?
N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline has a molecular weight of 292.44 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline is sourced from PubChem (CID 63495148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).