N-benzyl-3-chloro-2-morpholin-4-ylaniline

C17H19ClN2O — CID 91674334

IUPACN-benzyl-3-chloro-2-morpholin-4-ylaniline
SMILESClc1cccc(NCc2ccccc2)c1N1CCOCC1
InChIInChI=1S/C17H19ClN2O/c18-15-7-4-8-16(17(15)20-9-11-21-12-10-20)19-13-14-5-2-1-3-6-14/h1-8,19H,9-13H2
InChIKeyYXACFWGXFLYWDV-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.79
Rot. Bonds4

About N-benzyl-3-chloro-2-morpholin-4-ylaniline

N-benzyl-3-chloro-2-morpholin-4-ylaniline (PubChem CID 91674334) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-benzyl-3-chloro-2-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-benzyl-3-chloro-2-morpholin-4-ylaniline
PubChem CID91674334
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-benzyl-3-chloro-2-morpholin-4-ylaniline
SMILESClc1cccc(NCc2ccccc2)c1N1CCOCC1
InChIInChI=1S/C17H19ClN2O/c18-15-7-4-8-16(17(15)20-9-11-21-12-10-20)19-13-14-5-2-1-3-6-14/h1-8,19H,9-13H2
InChIKeyYXACFWGXFLYWDV-UHFFFAOYSA-N
XLogP3.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline
CID 91674333
3-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylaniline
CID 126767216
N-benzyl-2-bromo-3-chloroaniline
CID 103477865
1-benzyl-N-(3-chloro-2-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 18153239
N-benzyl-2-(morpholin-4-ylmethyl)aniline
CID 56787279
2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide
CID 39998866
N-(3-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111432211
1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 94494667
N-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-3-chloro-2-morpholin-4-ylaniline
CID 75450502
2-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline
CID 43229589
3-chloro-2-morpholin-4-ylaniline
CID 952393
2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55566312

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-2-morpholin-4-ylaniline?
The IUPAC name of N-benzyl-3-chloro-2-morpholin-4-ylaniline (CID 91674334) is N-benzyl-3-chloro-2-morpholin-4-ylaniline.
What is the SMILES notation for N-benzyl-3-chloro-2-morpholin-4-ylaniline?
The canonical SMILES for N-benzyl-3-chloro-2-morpholin-4-ylaniline is Clc1cccc(NCc2ccccc2)c1N1CCOCC1.
What is the InChIKey of N-benzyl-3-chloro-2-morpholin-4-ylaniline?
The InChIKey is YXACFWGXFLYWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-7-4-8-16(17(15)20-9-11-21-12-10-20)19-13-14-5-2-1-3-6-14/h1-8,19H,9-13H2.
What are the key properties of N-benzyl-3-chloro-2-morpholin-4-ylaniline?
N-benzyl-3-chloro-2-morpholin-4-ylaniline has a molecular weight of 302.81 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-2-morpholin-4-ylaniline is sourced from PubChem (CID 91674334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).