2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline

C18H23ClN2 — CID 63784223

IUPAC2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline
SMILESCC(C)N(Cc1ccccc1)c1cccc(Cl)c1CCN
InChIInChI=1S/C18H23ClN2/c1-14(2)21(13-15-7-4-3-5-8-15)18-10-6-9-17(19)16(18)11-12-20/h3-10,14H,11-13,20H2,1-2H3
InChIKeyWJIXVTXJVAHKIY-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.26
Rot. Bonds6

About 2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline

2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline (PubChem CID 63784223) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline
PubChem CID63784223
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline
SMILESCC(C)N(Cc1ccccc1)c1cccc(Cl)c1CCN
InChIInChI=1S/C18H23ClN2/c1-14(2)21(13-15-7-4-3-5-8-15)18-10-6-9-17(19)16(18)11-12-20/h3-10,14H,11-13,20H2,1-2H3
InChIKeyWJIXVTXJVAHKIY-UHFFFAOYSA-N
XLogP4.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-3-chloro-1-N-propan-2-ylbenzene-1,2-diamine
CID 104833916
2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline
CID 79515468
2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 63783609
3-N-benzyl-2-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 63075720
2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 63786189
2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline
CID 95465608
5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine
CID 80633350
2-[benzyl(propan-2-yl)amino]benzonitrile
CID 29273370
N-benzyl-3-fluoro-2-nitro-N-propan-2-ylaniline
CID 62665423
2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63959947
2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 55235413
N-[2-(2-aminoethyl)-3-chlorophenyl]-N-methyloxan-4-amine
CID 63782228

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline?
The IUPAC name of 2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline (CID 63784223) is 2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline?
The canonical SMILES for 2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline is CC(C)N(Cc1ccccc1)c1cccc(Cl)c1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline?
The InChIKey is WJIXVTXJVAHKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-14(2)21(13-15-7-4-3-5-8-15)18-10-6-9-17(19)16(18)11-12-20/h3-10,14H,11-13,20H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline?
2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline has a molecular weight of 302.85 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline is sourced from PubChem (CID 63784223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).