6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C17H26N2O3 — CID 13186869

IUPAC6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2c(ccc(OC)c2[N+](=O)[O-])C1
InChIInChI=1S/C17H26N2O3/c1-4-10-18(11-5-2)14-7-8-15-13(12-14)6-9-16(22-3)17(15)19(20)21/h6,9,14H,4-5,7-8,10-12H2,1-3H3
InChIKeyAHRILNKKNKMZOM-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.58
Rot. Bonds7

About 6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 13186869) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID13186869
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2c(ccc(OC)c2[N+](=O)[O-])C1
InChIInChI=1S/C17H26N2O3/c1-4-10-18(11-5-2)14-7-8-15-13(12-14)6-9-16(22-3)17(15)19(20)21/h6,9,14H,4-5,7-8,10-12H2,1-3H3
InChIKeyAHRILNKKNKMZOM-UHFFFAOYSA-N
XLogP3.58
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
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

6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid
CID 23224897
5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15268493
(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11187960
4-[2-[6-[[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]hexylamino]ethyl]-2-nitrophenol
CID 22878026
5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
CID 90668689
8-chloro-7-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19032654
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19761690
5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12581206
(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10063953
5-[2-[6-[[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]hexylamino]ethyl]-1,2-oxazol-3-one
CID 22885427
N-[3-(3,4-dimethoxyphenyl)propyl]-N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N'-propylhexane-1,6-diamine
CID 22878060
N'-[(2S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-N'-propylhexane-1,6-diamine
CID 70065669

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 13186869) is 6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)C1CCc2c(ccc(OC)c2[N+](=O)[O-])C1.
What is the InChIKey of 6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is AHRILNKKNKMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-10-18(11-5-2)14-7-8-15-13(12-14)6-9-16(22-3)17(15)19(20)21/h6,9,14H,4-5,7-8,10-12H2,1-3H3.
What are the key properties of 6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 306.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-nitro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 13186869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).