N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H18N2 — CID 3755839

IUPACN-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESc1ccc2c(c1)CCCC2NCc1ccncc1
InChIInChI=1S/C16H18N2/c1-2-6-15-14(4-1)5-3-7-16(15)18-12-13-8-10-17-11-9-13/h1-2,4,6,8-11,16,18H,3,5,7,12H2
InChIKeyGSPCKMUOZSNPJL-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.25
Rot. Bonds3

About N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 3755839) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID3755839
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESc1ccc2c(c1)CCCC2NCc1ccncc1
InChIInChI=1S/C16H18N2/c1-2-6-15-14(4-1)5-3-7-16(15)18-12-13-8-10-17-11-9-13/h1-2,4,6,8-11,16,18H,3,5,7,12H2
InChIKeyGSPCKMUOZSNPJL-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenol
CID 103602756
4-methyl-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418185
N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 60894294
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531448
N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 2853101
3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile
CID 22608163
N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 65477774
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 3755839) is N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is c1ccc2c(c1)CCCC2NCc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GSPCKMUOZSNPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-6-15-14(4-1)5-3-7-16(15)18-12-13-8-10-17-11-9-13/h1-2,4,6,8-11,16,18H,3,5,7,12H2.
What are the key properties of N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 238.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 3755839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).