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

C17H20N2 — CID 89120982

IUPACN-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESNc1ccc(CNC2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H20N2/c18-16-8-5-13(6-9-16)12-19-17-10-7-14-3-1-2-4-15(14)11-17/h1-6,8-9,17,19H,7,10-12,18H2
InChIKeyKDQBBBNMQDMHOH-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.92
Rot. Bonds3

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

N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 89120982) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID89120982
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESNc1ccc(CNC2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H20N2/c18-16-8-5-13(6-9-16)12-19-17-10-7-14-3-1-2-4-15(14)11-17/h1-6,8-9,17,19H,7,10-12,18H2
InChIKeyKDQBBBNMQDMHOH-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60658203
(2S)-N-[(3,5-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983162
(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983305
N-[(3-bromo-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 105401472
N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43221477
N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114452822
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60664575
3-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]benzoic acid
CID 103248031
N-(1-benzofuran-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55386970
N-(cyclobutylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43775224
2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethanesulfonamide
CID 43777346
N-(pyridazin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106895183

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 89120982) is N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Nc1ccc(CNC2CCc3ccccc3C2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is KDQBBBNMQDMHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-16-8-5-13(6-9-16)12-19-17-10-7-14-3-1-2-4-15(14)11-17/h1-6,8-9,17,19H,7,10-12,18H2.
What are the key properties of N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 89120982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).