2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline

C15H25FN2O — CID 82961156

IUPAC2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
SMILESCCNCc1cc(F)ccc1N(CCOC)C(C)C
InChIInChI=1S/C15H25FN2O/c1-5-17-11-13-10-14(16)6-7-15(13)18(12(2)3)8-9-19-4/h6-7,10,12,17H,5,8-9,11H2,1-4H3
InChIKeyDNMXBVVKBFLFMH-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.80
Rot. Bonds8

About 2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline

2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline (PubChem CID 82961156) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
PubChem CID82961156
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
SMILESCCNCc1cc(F)ccc1N(CCOC)C(C)C
InChIInChI=1S/C15H25FN2O/c1-5-17-11-13-10-14(16)6-7-15(13)18(12(2)3)8-9-19-4/h6-7,10,12,17H,5,8-9,11H2,1-4H3
InChIKeyDNMXBVVKBFLFMH-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 43313953
2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82960379
N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54999850
N-ethyl-4-fluoro-N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63059193
5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 114853034
[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005532
2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide
CID 63071874
N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 63551014
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 114853037
4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 43313954
N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 43313896
4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418968

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The IUPAC name of 2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline (CID 82961156) is 2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline.
What is the SMILES notation for 2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The canonical SMILES for 2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline is CCNCc1cc(F)ccc1N(CCOC)C(C)C.
What is the InChIKey of 2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The InChIKey is DNMXBVVKBFLFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-5-17-11-13-10-14(16)6-7-15(13)18(12(2)3)8-9-19-4/h6-7,10,12,17H,5,8-9,11H2,1-4H3.
What are the key properties of 2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline?
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline has a molecular weight of 268.38 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 82961156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).