4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol

C16H23N3O5 — CID 119124659

IUPAC4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol
SMILESCOc1cc(CNCC2CN(C3CC3)CCO2)c([N+](=O)[O-])cc1O
InChIInChI=1S/C16H23N3O5/c1-23-16-6-11(14(19(21)22)7-15(16)20)8-17-9-13-10-18(4-5-24-13)12-2-3-12/h6-7,12-13,17,20H,2-5,8-10H2,1H3
InChIKeyAXDUYDNTSPZWMW-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.26
Rot. Bonds7

About 4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol

4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol (PubChem CID 119124659) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol.

Molecular Properties

Compound Name4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol
PubChem CID119124659
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol
SMILESCOc1cc(CNCC2CN(C3CC3)CCO2)c([N+](=O)[O-])cc1O
InChIInChI=1S/C16H23N3O5/c1-23-16-6-11(14(19(21)22)7-15(16)20)8-17-9-13-10-18(4-5-24-13)12-2-3-12/h6-7,12-13,17,20H,2-5,8-10H2,1H3
InChIKeyAXDUYDNTSPZWMW-UHFFFAOYSA-N
XLogP1.26
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine
CID 124545838
2-methoxy-5-nitro-4-[(oxan-3-ylmethylamino)methyl]phenol
CID 119106767
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 119124637
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 95338826
1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine
CID 119124665
N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline
CID 67501196
[3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol
CID 133437647
1-cyclopropyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]methanamine
CID 95979352
2-amino-N-[(4-cyclopropylmorpholin-2-yl)methyl]-5-methyl-3-nitrobenzamide
CID 102557689
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]methanamine
CID 119124609
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 95347414
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine
CID 119124673

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol?
The IUPAC name of 4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol (CID 119124659) is 4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol.
What is the SMILES notation for 4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol?
The canonical SMILES for 4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol is COc1cc(CNCC2CN(C3CC3)CCO2)c([N+](=O)[O-])cc1O.
What is the InChIKey of 4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol?
The InChIKey is AXDUYDNTSPZWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-23-16-6-11(14(19(21)22)7-15(16)20)8-17-9-13-10-18(4-5-24-13)12-2-3-12/h6-7,12-13,17,20H,2-5,8-10H2,1H3.
What are the key properties of 4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol?
4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol has a molecular weight of 337.38 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol is sourced from PubChem (CID 119124659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).