N-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline

C17H19ClN2O — CID 134447215

IUPACN-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline
SMILESC[C@@]1(c2ccc(Nc3ccc(Cl)cc3)cc2)CNCCO1
InChIInChI=1S/C17H19ClN2O/c1-17(12-19-10-11-21-17)13-2-6-15(7-3-13)20-16-8-4-14(18)5-9-16/h2-9,19-20H,10-12H2,1H3/t17-/m0/s1
InChIKeyNADZOOJTYIZQDX-KRWDZBQOSA-N
MW302.81 g/mol
LogP3.92
Rot. Bonds3

About N-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline

N-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline (PubChem CID 134447215) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline
PubChem CID134447215
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline
SMILESC[C@@]1(c2ccc(Nc3ccc(Cl)cc3)cc2)CNCCO1
InChIInChI=1S/C17H19ClN2O/c1-17(12-19-10-11-21-17)13-2-6-15(7-3-13)20-16-8-4-14(18)5-9-16/h2-9,19-20H,10-12H2,1H3/t17-/m0/s1
InChIKeyNADZOOJTYIZQDX-KRWDZBQOSA-N
XLogP3.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline?
The IUPAC name of N-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline (CID 134447215) is N-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline?
The canonical SMILES for N-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline is C[C@@]1(c2ccc(Nc3ccc(Cl)cc3)cc2)CNCCO1.
What is the InChIKey of N-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline?
The InChIKey is NADZOOJTYIZQDX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-17(12-19-10-11-21-17)13-2-6-15(7-3-13)20-16-8-4-14(18)5-9-16/h2-9,19-20H,10-12H2,1H3/t17-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline?
N-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline has a molecular weight of 302.81 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[(2R)-2-methylmorpholin-2-yl]aniline is sourced from PubChem (CID 134447215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).