3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol

C14H20N2O3 — CID 103271362

IUPAC3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1CCC(O)C1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N2O3/c1-10(15-9-11-2-7-14(17)8-11)12-3-5-13(6-4-12)16(18)19/h3-6,10-11,14-15,17H,2,7-9H2,1H3
InChIKeyAUSUKQGCQDDFIA-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.41
Rot. Bonds5

About 3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol

3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 103271362) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID103271362
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1CCC(O)C1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N2O3/c1-10(15-9-11-2-7-14(17)8-11)12-3-5-13(6-4-12)16(18)19/h3-6,10-11,14-15,17H,2,7-9H2,1H3
InChIKeyAUSUKQGCQDDFIA-UHFFFAOYSA-N
XLogP2.41
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271482
1-(4-nitrophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295342
3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 106129887
1-(4-nitrophenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80596058
N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide
CID 106704157
N-[1-(4-nitrophenyl)ethyl]cyclopropanamine
CID 43297230
N-(cyclopropylmethyl)-1-(3-nitrophenyl)ethanamine
CID 43200769
2-bromo-N-[1-(4-nitrophenyl)ethyl]prop-2-en-1-amine
CID 115717297
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(4-nitrophenyl)ethanamine
CID 60816936
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271544
2-ethyl-N-[1-(4-nitrophenyl)ethyl]butan-1-amine
CID 115718046
2-N,2-N,3-trimethyl-1-N-[1-(4-nitrophenyl)ethyl]butane-1,2-diamine
CID 43297383

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol (CID 103271362) is 3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol is CC(NCC1CCC(O)C1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is AUSUKQGCQDDFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(15-9-11-2-7-14(17)8-11)12-3-5-13(6-4-12)16(18)19/h3-6,10-11,14-15,17H,2,7-9H2,1H3.
What are the key properties of 3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol?
3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 264.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103271362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).