1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine

C15H22N2O2 — CID 103742159

IUPAC1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
SMILESCC(NCC1(C(C)C)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H22N2O2/c1-11(2)15(8-9-15)10-16-12(3)13-4-6-14(7-5-13)17(18)19/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyCHMQMLCHSUSGKN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.68
Rot. Bonds6

About 1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine

1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine (PubChem CID 103742159) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
PubChem CID103742159
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
SMILESCC(NCC1(C(C)C)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H22N2O2/c1-11(2)15(8-9-15)10-16-12(3)13-4-6-14(7-5-13)17(18)19/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyCHMQMLCHSUSGKN-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 103742874
N-[1-(4-nitrophenyl)ethyl]prop-2-yn-1-amine
CID 43297240
2-ethyl-N-[1-(4-nitrophenyl)ethyl]butan-1-amine
CID 115718046
4-methyl-N-[1-(4-nitrophenyl)ethyl]pentan-1-amine
CID 54914062
3,3-dimethyl-N-[1-(4-nitrophenyl)ethyl]butan-1-amine
CID 113260560
3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol
CID 103783080
2-bromo-N-[1-(4-nitrophenyl)ethyl]prop-2-en-1-amine
CID 115717297
N-[1-(4-nitrophenyl)ethyl]octan-1-amine
CID 115566762
N-[(3-methylthiophen-2-yl)methyl]-1-(4-nitrophenyl)ethanamine
CID 79822198
2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 102977042
N'-methyl-N-[1-(4-nitrophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62635051
(2S,4R)-4-methyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pentan-2-ol
CID 129378741

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine (CID 103742159) is 1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine is CC(NCC1(C(C)C)CC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine?
The InChIKey is CHMQMLCHSUSGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)15(8-9-15)10-16-12(3)13-4-6-14(7-5-13)17(18)19/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of 1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine?
1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine has a molecular weight of 262.35 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 103742159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).