N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline

C14H21FN2 — CID 115449003

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline
SMILESCCN(CC1(CN)CCC1)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-2-17(11-14(10-16)8-3-9-14)13-6-4-12(15)5-7-13/h4-7H,2-3,8-11,16H2,1H3
InChIKeyDPNXVUATTNKIEC-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.78
Rot. Bonds5

About N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline (PubChem CID 115449003) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline
PubChem CID115449003
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline
SMILESCCN(CC1(CN)CCC1)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-2-17(11-14(10-16)8-3-9-14)13-6-4-12(15)5-7-13/h4-7H,2-3,8-11,16H2,1H3
InChIKeyDPNXVUATTNKIEC-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline
CID 62260420
[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol
CID 62272788
N,N-diethyl-4-fluoroaniline
CID 592416
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline
CID 62258149
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylnaphthalen-1-amine
CID 63484497
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine
CID 64892421
N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline
CID 63133905
N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline
CID 64682474
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline
CID 65003098
N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline
CID 64585628
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115245867

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline (CID 115449003) is N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline is CCN(CC1(CN)CCC1)c1ccc(F)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline?
The InChIKey is DPNXVUATTNKIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-17(11-14(10-16)8-3-9-14)13-6-4-12(15)5-7-13/h4-7H,2-3,8-11,16H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline?
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline has a molecular weight of 236.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 115449003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).