N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline

C21H28N2O2 — CID 118954414

IUPACN-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline
SMILESCOc1ccc(CNc2ccc(C(C)C)c(N3CCOCC3)c2)cc1
InChIInChI=1S/C21H28N2O2/c1-16(2)20-9-6-18(14-21(20)23-10-12-25-13-11-23)22-15-17-4-7-19(24-3)8-5-17/h4-9,14,16,22H,10-13,15H2,1-3H3
InChIKeyVWRSQMWHHAYSEN-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.27
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline

N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline (PubChem CID 118954414) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline
PubChem CID118954414
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline
SMILESCOc1ccc(CNc2ccc(C(C)C)c(N3CCOCC3)c2)cc1
InChIInChI=1S/C21H28N2O2/c1-16(2)20-9-6-18(14-21(20)23-10-12-25-13-11-23)22-15-17-4-7-19(24-3)8-5-17/h4-9,14,16,22H,10-13,15H2,1-3H3
InChIKeyVWRSQMWHHAYSEN-UHFFFAOYSA-N
XLogP4.27
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline
CID 91674330
methyl 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4727987
4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine
CID 176746640
3-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-nitroaniline
CID 169091916
methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2997066
methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115
2-morpholin-4-yl-5-[(4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 4727902
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline
CID 170160185
N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 6492077
N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine
CID 82539031
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline (CID 118954414) is N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline is COc1ccc(CNc2ccc(C(C)C)c(N3CCOCC3)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline?
The InChIKey is VWRSQMWHHAYSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16(2)20-9-6-18(14-21(20)23-10-12-25-13-11-23)22-15-17-4-7-19(24-3)8-5-17/h4-9,14,16,22H,10-13,15H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline?
N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline has a molecular weight of 340.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-4-propan-2-ylaniline is sourced from PubChem (CID 118954414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).