4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline

C12H19ClN2 — CID 62946685

IUPAC4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline
SMILESCCN(c1ccc(CN)c(Cl)c1)C(C)C
InChIInChI=1S/C12H19ClN2/c1-4-15(9(2)3)11-6-5-10(8-14)12(13)7-11/h5-7,9H,4,8,14H2,1-3H3
InChIKeyCVHXXOGPFXQTCL-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.03
Rot. Bonds4

About 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline

4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline (PubChem CID 62946685) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline
PubChem CID62946685
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline
SMILESCCN(c1ccc(CN)c(Cl)c1)C(C)C
InChIInChI=1S/C12H19ClN2/c1-4-15(9(2)3)11-6-5-10(8-14)12(13)7-11/h5-7,9H,4,8,14H2,1-3H3
InChIKeyCVHXXOGPFXQTCL-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline (CID 62946685) is 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline is CCN(c1ccc(CN)c(Cl)c1)C(C)C.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline?
The InChIKey is CVHXXOGPFXQTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-4-15(9(2)3)11-6-5-10(8-14)12(13)7-11/h5-7,9H,4,8,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline?
4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline has a molecular weight of 226.75 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline is sourced from PubChem (CID 62946685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).