N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline

C15H16ClFN2 — CID 102662908

IUPACN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline
SMILESCN(Cc1ccc(CN)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H16ClFN2/c1-19(14-4-2-3-13(17)8-14)10-12-6-5-11(9-18)7-15(12)16/h2-8H,9-10,18H2,1H3
InChIKeyCRRGBRZUQCMTQB-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.57
Rot. Bonds4

About N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline

N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline (PubChem CID 102662908) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline
PubChem CID102662908
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC NameN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline
SMILESCN(Cc1ccc(CN)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H16ClFN2/c1-19(14-4-2-3-13(17)8-14)10-12-6-5-11(9-18)7-15(12)16/h2-8H,9-10,18H2,1H3
InChIKeyCRRGBRZUQCMTQB-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 62945834
4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline
CID 113230359
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine
CID 102663097
3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol
CID 82978191
N-[[3-(aminomethyl)furan-2-yl]methyl]-3-fluoro-N-methylaniline
CID 62435492
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline
CID 105347442
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 78924390
2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
CID 112616216
N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline
CID 79255179
3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline
CID 102663561
5-fluoro-2-[(3-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76994464

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline (CID 102662908) is N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline is CN(Cc1ccc(CN)cc1Cl)c1cccc(F)c1.
What is the InChIKey of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline?
The InChIKey is CRRGBRZUQCMTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-19(14-4-2-3-13(17)8-14)10-12-6-5-11(9-18)7-15(12)16/h2-8H,9-10,18H2,1H3.
What are the key properties of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline?
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline has a molecular weight of 278.76 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 102662908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).