[3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol

C15H21N3O4 — CID 133437647

IUPAC[3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)cc1NCC1CN(C2CC2)CCO1
InChIInChI=1S/C15H21N3O4/c19-10-11-1-4-15(18(20)21)14(7-11)16-8-13-9-17(5-6-22-13)12-2-3-12/h1,4,7,12-13,16,19H,2-3,5-6,8-10H2
InChIKeyCZRNNFAAUVIWOC-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.36
Rot. Bonds6

About [3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol

[3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol (PubChem CID 133437647) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is [3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol.

Molecular Properties

Compound Name[3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol
PubChem CID133437647
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name[3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)cc1NCC1CN(C2CC2)CCO1
InChIInChI=1S/C15H21N3O4/c19-10-11-1-4-15(18(20)21)14(7-11)16-8-13-9-17(5-6-22-13)12-2-3-12/h1,4,7,12-13,16,19H,2-3,5-6,8-10H2
InChIKeyCZRNNFAAUVIWOC-UHFFFAOYSA-N
XLogP1.36
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline
CID 67501196
[4-nitro-3-(oxan-4-ylmethylamino)phenyl]methanol
CID 134248317
[3-(cyclopropylmethylamino)-4-nitrophenyl]methanol
CID 122539176
[3-[(2-tert-butyloxan-3-yl)methylamino]-4-nitrophenyl]methanol
CID 133437876
[4-nitro-3-[(2-propan-2-yloxan-3-yl)methylamino]phenyl]methanol
CID 133438137
2-[(4-cyclopropylmorpholin-2-yl)methylamino]-6-nitroquinoline-4-carbonitrile
CID 133320213
3-[[5-(hydroxymethyl)-2-nitroanilino]methyl]cyclohexan-1-ol
CID 133437965
[3-[2-(methoxymethyl)morpholin-4-yl]-4-nitrophenyl]methanol
CID 133437883
[4-[[3-(methylamino)-4-nitrophenyl]methyl]morpholin-2-yl]methanol
CID 81213023
2-amino-N-[(4-cyclopropylmorpholin-2-yl)methyl]-5-methyl-3-nitrobenzamide
CID 102557689
N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-nitroanilino]acetamide
CID 133441776
4-[[(4-cyclopropylmorpholin-2-yl)methylamino]methyl]-2-methoxy-5-nitrophenol
CID 119124659

Frequently Asked Questions

What is the IUPAC name of [3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol?
The IUPAC name of [3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol (CID 133437647) is [3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol.
What is the SMILES notation for [3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol?
The canonical SMILES for [3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol is O=[N+]([O-])c1ccc(CO)cc1NCC1CN(C2CC2)CCO1.
What is the InChIKey of [3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol?
The InChIKey is CZRNNFAAUVIWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-10-11-1-4-15(18(20)21)14(7-11)16-8-13-9-17(5-6-22-13)12-2-3-12/h1,4,7,12-13,16,19H,2-3,5-6,8-10H2.
What are the key properties of [3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol?
[3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol has a molecular weight of 307.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol is sourced from PubChem (CID 133437647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).