N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine

C15H22N2O2 — CID 63821333

IUPACN-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine
SMILESCC1(CNCCc2ccccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C15H22N2O2/c1-15(9-4-5-10-15)12-16-11-8-13-6-2-3-7-14(13)17(18)19/h2-3,6-7,16H,4-5,8-12H2,1H3
InChIKeyIEQKYSQBYPXLHF-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.31
Rot. Bonds6

About N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine

N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine (PubChem CID 63821333) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine
PubChem CID63821333
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine
SMILESCC1(CNCCc2ccccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C15H22N2O2/c1-15(9-4-5-10-15)12-16-11-8-13-6-2-3-7-14(13)17(18)19/h2-3,6-7,16H,4-5,8-12H2,1H3
InChIKeyIEQKYSQBYPXLHF-UHFFFAOYSA-N
XLogP3.31
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine
CID 103735801
1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
CID 63062447
1,1-dimethyl-2-[2-(2-nitrophenyl)ethyl]hydrazine
CID 83014156
3-methyl-N-[2-(2-nitrophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 63062115
N-[2-(2-nitrophenyl)ethyl]pentan-1-amine
CID 55145861
N-[(2-methylphenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63063478
1-(5-chloro-2-nitrophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735815
2-[[2-(2-nitrophenyl)ethylamino]methyl]phenol
CID 115656030
2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide
CID 63062439
2-(2-nitrophenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 63063657
1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 65020410
N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119093580

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine (CID 63821333) is N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine is CC1(CNCCc2ccccc2[N+](=O)[O-])CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine?
The InChIKey is IEQKYSQBYPXLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(9-4-5-10-15)12-16-11-8-13-6-2-3-7-14(13)17(18)19/h2-3,6-7,16H,4-5,8-12H2,1H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine?
N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine has a molecular weight of 262.35 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 63821333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).