N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine

C14H20N2O3 — CID 43472722

IUPACN-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
SMILESCCNCc1cc([N+](=O)[O-])ccc1OC1CCCC1
InChIInChI=1S/C14H20N2O3/c1-2-15-10-11-9-12(16(17)18)7-8-14(11)19-13-5-3-4-6-13/h7-9,13,15H,2-6,10H2,1H3
InChIKeyKHBWXHPSENAZHX-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.03
Rot. Bonds6

About N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine

N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine (PubChem CID 43472722) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
PubChem CID43472722
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
SMILESCCNCc1cc([N+](=O)[O-])ccc1OC1CCCC1
InChIInChI=1S/C14H20N2O3/c1-2-15-10-11-9-12(16(17)18)7-8-14(11)19-13-5-3-4-6-13/h7-9,13,15H,2-6,10H2,1H3
InChIKeyKHBWXHPSENAZHX-UHFFFAOYSA-N
XLogP3.03
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
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

1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine
CID 43472649
[2-(bromomethyl)-4-nitrophenoxy]cycloheptane
CID 82928848
N-methyl-1-[5-nitro-2-(oxan-4-yloxy)phenyl]methanamine
CID 63937221
1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
CID 43371036
N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119
2-cyclopropyloxy-1-ethyl-4-nitrobenzene
CID 59026367
N-[(2-butoxy-5-nitrophenyl)methyl]ethanamine
CID 43472693
N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide
CID 141225863
N-[[2-(ethoxymethoxy)-5-nitrophenyl]methyl]ethanamine
CID 65369396
N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
CID 43082634
N-[(5-nitro-2-pentoxyphenyl)methyl]ethanamine
CID 43472691
2-[2-(ethylaminomethyl)-4-nitrophenoxy]acetonitrile
CID 60889390

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine (CID 43472722) is N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine is CCNCc1cc([N+](=O)[O-])ccc1OC1CCCC1.
What is the InChIKey of N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine?
The InChIKey is KHBWXHPSENAZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-15-10-11-9-12(16(17)18)7-8-14(11)19-13-5-3-4-6-13/h7-9,13,15H,2-6,10H2,1H3.
What are the key properties of N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine?
N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine has a molecular weight of 264.32 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 43472722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).