5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline

C18H21ClN2O2 — CID 91674330

IUPAC5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline
SMILESCOc1ccc(CNc2cc(Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-22-16-5-2-14(3-6-16)13-20-17-12-15(19)4-7-18(17)21-8-10-23-11-9-21/h2-7,12,20H,8-11,13H2,1H3
InChIKeyLLIPTXUYRSTSPH-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.80
Rot. Bonds5

About 5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline

5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline (PubChem CID 91674330) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline.

Molecular Properties

Compound Name5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline
PubChem CID91674330
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline
SMILESCOc1ccc(CNc2cc(Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-22-16-5-2-14(3-6-16)13-20-17-12-15(19)4-7-18(17)21-8-10-23-11-9-21/h2-7,12,20H,8-11,13H2,1H3
InChIKeyLLIPTXUYRSTSPH-UHFFFAOYSA-N
XLogP3.80
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 1094305
N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline
CID 118954414
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline
CID 43052587
5-(4-chlorophenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 17354423
5-N-[(4-methoxyphenyl)methyl]-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951133
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine
CID 46966662
2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463616
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 7491964
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
N-(5-chloro-2-morpholin-4-ylphenyl)formamide
CID 168653887

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline?
The IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline (CID 91674330) is 5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline.
What is the SMILES notation for 5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline?
The canonical SMILES for 5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline is COc1ccc(CNc2cc(Cl)ccc2N2CCOCC2)cc1.
What is the InChIKey of 5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline?
The InChIKey is LLIPTXUYRSTSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-22-16-5-2-14(3-6-16)13-20-17-12-15(19)4-7-18(17)21-8-10-23-11-9-21/h2-7,12,20H,8-11,13H2,1H3.
What are the key properties of 5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline?
5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline has a molecular weight of 332.83 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline is sourced from PubChem (CID 91674330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).