N-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C17H18N2O2 — CID 2850828

IUPACN-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESO=[N+]([O-])c1ccccc1CNC1CCCc2ccccc21
InChIInChI=1S/C17H18N2O2/c20-19(21)17-11-4-2-7-14(17)12-18-16-10-5-8-13-6-1-3-9-15(13)16/h1-4,6-7,9,11,16,18H,5,8,10,12H2
InChIKeyLSFDTNIDCYJSIL-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.76
Rot. Bonds4

About N-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 2850828) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID2850828
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESO=[N+]([O-])c1ccccc1CNC1CCCc2ccccc21
InChIInChI=1S/C17H18N2O2/c20-19(21)17-11-4-2-7-14(17)12-18-16-10-5-8-13-6-1-3-9-15(13)16/h1-4,6-7,9,11,16,18H,5,8,10,12H2
InChIKeyLSFDTNIDCYJSIL-UHFFFAOYSA-N
XLogP3.76
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.76
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

3-Methyl-7-nitro-1,2,3,4-tetrahydroisoquinoline
CID 15407445
N-methyl-N-(2-nitrobenzyl)-2-phenylethanamine
CID 782473
3-Nitro-11-aza-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-triene
CID 9920836
(R)-3-methyl-7-nitro-1,2,3,4-tetrahydroisoquinoline
CID 10487987
1,3-Diallyl-5-nitro-1,2,3,4-tetrahydro-isoquinoline
CID 802013
N-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 2850121
(2-Methyl-4-nitrophenyl)(2-naphthylmethyl)amine
CID 2851202
(1,2-Diphenylethyl)(2-nitrobenzyl)amine
CID 2851831
(S)-3-methyl-7-nitro-1,2,3,4-tetrahydroisoquinoline
CID 10607760
CID 16188492
CID 16188492
1-benzyl-N-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 17159252
7-Nitro-1,2,3,4-tetrahydrobenzo[h]isoquinoline
CID 44428299

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 2850828) is N-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is O=[N+]([O-])c1ccccc1CNC1CCCc2ccccc21.
What is the InChIKey of N-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LSFDTNIDCYJSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-19(21)17-11-4-2-7-14(17)12-18-16-10-5-8-13-6-1-3-9-15(13)16/h1-4,6-7,9,11,16,18H,5,8,10,12H2.
What are the key properties of N-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 282.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 2850828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).