2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline

C17H21FN2 — CID 79515815

IUPAC2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline
SMILESCN(CCCc1ccccc1)c1cccc(F)c1CN
InChIInChI=1S/C17H21FN2/c1-20(12-6-9-14-7-3-2-4-8-14)17-11-5-10-16(18)15(17)13-19/h2-5,7-8,10-11H,6,9,12-13,19H2,1H3
InChIKeyYFQJDNSDOUTTNT-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.35
Rot. Bonds6

About 2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline

2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline (PubChem CID 79515815) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline
PubChem CID79515815
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline
SMILESCN(CCCc1ccccc1)c1cccc(F)c1CN
InChIInChI=1S/C17H21FN2/c1-20(12-6-9-14-7-3-2-4-8-14)17-11-5-10-16(18)15(17)13-19/h2-5,7-8,10-11H,6,9,12-13,19H2,1H3
InChIKeyYFQJDNSDOUTTNT-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline
CID 79517799
2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline
CID 95465608
2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 79515809
2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 79517600
4-chloro-2-N-methyl-2-N-(3-phenylpropyl)benzene-1,2-diamine
CID 115468658
2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline
CID 79517983
3-(aminomethyl)-N,2,6-trimethyl-N-(3-phenylpropyl)pyridin-4-amine
CID 81049487
2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline
CID 79515468
2-fluoro-5-methoxy-1-N-methyl-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 107258842
2-amino-3-[methyl(3-phenylpropyl)amino]benzonitrile
CID 104716362
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline?
The IUPAC name of 2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline (CID 79515815) is 2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline?
The canonical SMILES for 2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline is CN(CCCc1ccccc1)c1cccc(F)c1CN.
What is the InChIKey of 2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline?
The InChIKey is YFQJDNSDOUTTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-20(12-6-9-14-7-3-2-4-8-14)17-11-5-10-16(18)15(17)13-19/h2-5,7-8,10-11H,6,9,12-13,19H2,1H3.
What are the key properties of 2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline?
2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline has a molecular weight of 272.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline is sourced from PubChem (CID 79515815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).