4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline

C15H17FN2O — CID 55207807

IUPAC4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline
SMILESCOc1cccc(N(C)c2ccc(CN)cc2F)c1
InChIInChI=1S/C15H17FN2O/c1-18(12-4-3-5-13(9-12)19-2)15-7-6-11(10-17)8-14(15)16/h3-9H,10,17H2,1-2H3
InChIKeyTVXSPAOPFSBEBE-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.06
Rot. Bonds4

About 4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline

4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline (PubChem CID 55207807) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline
PubChem CID55207807
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline
SMILESCOc1cccc(N(C)c2ccc(CN)cc2F)c1
InChIInChI=1S/C15H17FN2O/c1-18(12-4-3-5-13(9-12)19-2)15-7-6-11(10-17)8-14(15)16/h3-9H,10,17H2,1-2H3
InChIKeyTVXSPAOPFSBEBE-UHFFFAOYSA-N
XLogP3.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-4-fluoro-N-(3-methoxyphenyl)-N-methylaniline
CID 63786185
2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63785861
2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline
CID 63189213
4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline
CID 55222140
[3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol
CID 81151607
2-fluoro-6-(3-methoxy-N-methylanilino)benzenecarbothioamide
CID 79519487
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881845
N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline
CID 117041608
2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 81143432
[3-fluoro-4-[(3-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328422
4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
CID 60930151
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392583

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline (CID 55207807) is 4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline is COc1cccc(N(C)c2ccc(CN)cc2F)c1.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline?
The InChIKey is TVXSPAOPFSBEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-18(12-4-3-5-13(9-12)19-2)15-7-6-11(10-17)8-14(15)16/h3-9H,10,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline?
4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline has a molecular weight of 260.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 55207807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).