4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline

C11H14ClF3N2 — CID 63087010

IUPAC4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1ccc(CN)cc1Cl
InChIInChI=1S/C11H14ClF3N2/c1-2-17(7-11(13,14)15)10-4-3-8(6-16)5-9(10)12/h3-5H,2,6-7,16H2,1H3
InChIKeyNBUSORKXQUPPGE-UHFFFAOYSA-N
MW266.69 g/mol
LogP3.19
Rot. Bonds4

About 4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline

4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 63087010) has the molecular formula C11H14ClF3N2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID63087010
Molecular FormulaC11H14ClF3N2
Molecular Weight266.69 g/mol
Exact Mass266.08
IUPAC Name4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1ccc(CN)cc1Cl
InChIInChI=1S/C11H14ClF3N2/c1-2-17(7-11(13,14)15)10-4-3-8(6-16)5-9(10)12/h3-5H,2,6-7,16H2,1H3
InChIKeyNBUSORKXQUPPGE-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 81152373
4-(bromomethyl)-2-chloro-N,N-diethylaniline
CID 107078904
2-(2-aminoethyl)-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 114861049
4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63087512
4-(bromomethyl)-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 107082262
5-(aminomethyl)-3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62286524
4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline
CID 81166516
4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 78924406
2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481543
2-[2-chloro-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481491
2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008972
4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 78924390

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline (CID 63087010) is 4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline is CCN(CC(F)(F)F)c1ccc(CN)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is NBUSORKXQUPPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2/c1-2-17(7-11(13,14)15)10-4-3-8(6-16)5-9(10)12/h3-5H,2,6-7,16H2,1H3.
What are the key properties of 4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline?
4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 266.69 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 63087010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).