N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline

C15H17FN2O — CID 117041608

IUPACN-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)c2ccc(CN)cc2)cc1F
InChIInChI=1S/C15H17FN2O/c1-18(12-5-3-11(10-17)4-6-12)13-7-8-15(19-2)14(16)9-13/h3-9H,10,17H2,1-2H3
InChIKeyGAPWUOGCUGLVKX-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.06
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline

N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline (PubChem CID 117041608) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline
PubChem CID117041608
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)c2ccc(CN)cc2)cc1F
InChIInChI=1S/C15H17FN2O/c1-18(12-5-3-11(10-17)4-6-12)13-7-8-15(19-2)14(16)9-13/h3-9H,10,17H2,1-2H3
InChIKeyGAPWUOGCUGLVKX-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

4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
CID 43275566
4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline
CID 115366816
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline
CID 117041619
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoro-4-methoxy-N-methylaniline
CID 115243951
N'-(3-fluoro-4-methoxyphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203044
1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
CID 115234535
N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
CID 63786695
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54992107
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline (CID 117041608) is N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline is COc1ccc(N(C)c2ccc(CN)cc2)cc1F.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline?
The InChIKey is GAPWUOGCUGLVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-18(12-5-3-11(10-17)4-6-12)13-7-8-15(19-2)14(16)9-13/h3-9H,10,17H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline?
N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-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 N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline is sourced from PubChem (CID 117041608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).