1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine

C16H24N2O3 — CID 83003504

IUPAC1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine
SMILESCCNC(Cc1ccc([N+](=O)[O-])c(OC(C)C)c1)C1CC1
InChIInChI=1S/C16H24N2O3/c1-4-17-14(13-6-7-13)9-12-5-8-15(18(19)20)16(10-12)21-11(2)3/h5,8,10-11,13-14,17H,4,6-7,9H2,1-3H3
InChIKeySGVPCOSGQUDZSX-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.31
Rot. Bonds8

About 1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine

1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine (PubChem CID 83003504) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine
PubChem CID83003504
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine
SMILESCCNC(Cc1ccc([N+](=O)[O-])c(OC(C)C)c1)C1CC1
InChIInChI=1S/C16H24N2O3/c1-4-17-14(13-6-7-13)9-12-5-8-15(18(19)20)16(10-12)21-11(2)3/h5,8,10-11,13-14,17H,4,6-7,9H2,1-3H3
InChIKeySGVPCOSGQUDZSX-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'}

Analyze 1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-N-ethyl-2-(3-methyl-4-nitrophenyl)ethanamine
CID 63354874
1-cyclopropyl-N-ethyl-2-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine
CID 63355110
4-(bromomethyl)-1-nitro-2-propan-2-yloxybenzene
CID 62115041
1-(4-nitro-3-propan-2-yloxyphenyl)butan-2-one
CID 83013412
N-ethyl-1-(3-methoxy-4-nitrophenyl)propan-2-amine
CID 63676496
N,3,3-trimethyl-1-(4-nitro-3-propan-2-yloxyphenyl)butan-2-amine
CID 83003499
4-(2-chloro-3-methoxypropyl)-1-nitro-2-propan-2-yloxybenzene
CID 83013415
4-(2-bromo-3-methoxypropyl)-1-nitro-2-propan-2-yloxybenzene
CID 83013499
1-cyclopropyl-2-(3-ethoxy-4-nitrophenyl)ethanamine
CID 63677767
N-ethyl-3-methyl-1-(4-nitro-3-propoxyphenyl)butan-2-amine
CID 63676494
4-[(4-nitro-3-propan-2-yloxyphenyl)methyl]pyridine
CID 175048104
N-[(3-cyclopentyloxy-4-nitrophenyl)methyl]propan-2-amine
CID 62116751

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine (CID 83003504) is 1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine is CCNC(Cc1ccc([N+](=O)[O-])c(OC(C)C)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is SGVPCOSGQUDZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-17-14(13-6-7-13)9-12-5-8-15(18(19)20)16(10-12)21-11(2)3/h5,8,10-11,13-14,17H,4,6-7,9H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine?
1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine 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 1-cyclopropyl-N-ethyl-2-(4-nitro-3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 83003504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).