N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline

C14H15FN2 — CID 105488137

IUPACN-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline
SMILESNCc1cccc(CNc2cccc(F)c2)c1
InChIInChI=1S/C14H15FN2/c15-13-5-2-6-14(8-13)17-10-12-4-1-3-11(7-12)9-16/h1-8,17H,9-10,16H2
InChIKeySKJUEJKEBFRJBB-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.90
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline

N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline (PubChem CID 105488137) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline
PubChem CID105488137
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline
SMILESNCc1cccc(CNc2cccc(F)c2)c1
InChIInChI=1S/C14H15FN2/c15-13-5-2-6-14(8-13)17-10-12-4-1-3-11(7-12)9-16/h1-8,17H,9-10,16H2
InChIKeySKJUEJKEBFRJBB-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-iodoaniline
CID 28879212
N-[[3-(aminomethyl)phenyl]methyl]naphthalen-2-amine
CID 115212943
N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 43589478
N-[4-(aminomethyl)phenyl]-3-fluoroaniline
CID 117027398
N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline
CID 79710160
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360349
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline
CID 115212901
3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline
CID 43727006
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
N-(2,2-difluoroethyl)-3-fluoroaniline
CID 60922269
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine
CID 20542479

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline (CID 105488137) is N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline is NCc1cccc(CNc2cccc(F)c2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline?
The InChIKey is SKJUEJKEBFRJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c15-13-5-2-6-14(8-13)17-10-12-4-1-3-11(7-12)9-16/h1-8,17H,9-10,16H2.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline?
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline has a molecular weight of 230.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline is sourced from PubChem (CID 105488137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).