N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine

C16H24N2O3 — CID 106797970

IUPACN-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2cc([N+](=O)[O-])ccc2OC)CC1
InChIInChI=1S/C16H24N2O3/c1-4-9-17-12(2)16(7-8-16)11-13-10-14(18(19)20)5-6-15(13)21-3/h5-6,10,12,17H,4,7-9,11H2,1-3H3
InChIKeyXHXCXJIJPRNUKX-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.31
Rot. Bonds8

About N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine

N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine (PubChem CID 106797970) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
PubChem CID106797970
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2cc([N+](=O)[O-])ccc2OC)CC1
InChIInChI=1S/C16H24N2O3/c1-4-9-17-12(2)16(7-8-16)11-13-10-14(18(19)20)5-6-15(13)21-3/h5-6,10,12,17H,4,7-9,11H2,1-3H3
InChIKeyXHXCXJIJPRNUKX-UHFFFAOYSA-N
XLogP3.31
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.31
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

N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797934
2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide
CID 60695601
1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine
CID 65020246
N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine
CID 62200224
N-[(2-methoxy-5-nitrophenyl)methyl]pentan-3-amine
CID 43082638
N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine
CID 106797815
(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 81388796
N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-1-amine
CID 62548321
N-[(5-nitro-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43472747
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
(2R)-2-[(2-methoxy-5-nitrophenyl)methylamino]propanoic acid
CID 83194735
4-[(2-methoxy-5-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 63129673

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine (CID 106797970) is N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine is CCCNC(C)C1(Cc2cc([N+](=O)[O-])ccc2OC)CC1.
What is the InChIKey of N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The InChIKey is XHXCXJIJPRNUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-9-17-12(2)16(7-8-16)11-13-10-14(18(19)20)5-6-15(13)21-3/h5-6,10,12,17H,4,7-9,11H2,1-3H3.
What are the key properties of N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine has a molecular weight of 292.38 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine is sourced from PubChem (CID 106797970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).