3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline

C18H22N2 — CID 115211886

IUPAC3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline
SMILESNc1cccc(CNCc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C18H22N2/c19-18-7-3-4-14(11-18)12-20-13-15-8-9-16-5-1-2-6-17(16)10-15/h3-4,7-11,20H,1-2,5-6,12-13,19H2
InChIKeyBRJRQXRUDFCFJK-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.44
Rot. Bonds4

About 3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline

3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline (PubChem CID 115211886) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline.

Molecular Properties

Compound Name3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline
PubChem CID115211886
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline
SMILESNc1cccc(CNCc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C18H22N2/c19-18-7-3-4-14(11-18)12-20-13-15-8-9-16-5-1-2-6-17(16)10-15/h3-4,7-11,20H,1-2,5-6,12-13,19H2
InChIKeyBRJRQXRUDFCFJK-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 62499945
3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 115160767
N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115211829
3-[[[4-(4-methylpiperazin-1-yl)phenyl]methylamino]methyl]aniline
CID 83962227
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 115195816
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 43309050
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine
CID 60997427
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine
CID 63428115
3-[[(2,4-difluorophenyl)methylamino]methyl]aniline
CID 115211908
3-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1-thiol
CID 115224838
3-[[2-(3,4-difluorophenyl)ethylamino]methyl]aniline
CID 115211983

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline?
The IUPAC name of 3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline (CID 115211886) is 3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline.
What is the SMILES notation for 3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline?
The canonical SMILES for 3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline is Nc1cccc(CNCc2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline?
The InChIKey is BRJRQXRUDFCFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-18-7-3-4-14(11-18)12-20-13-15-8-9-16-5-1-2-6-17(16)10-15/h3-4,7-11,20H,1-2,5-6,12-13,19H2.
What are the key properties of 3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline?
3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline has a molecular weight of 266.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline is sourced from PubChem (CID 115211886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).