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

C16H18N2 — CID 30983305

IUPAC(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1cncc(CN[C@H]2CCc3ccccc3C2)c1
InChIInChI=1S/C16H18N2/c1-2-6-15-10-16(8-7-14(15)5-1)18-12-13-4-3-9-17-11-13/h1-6,9,11,16,18H,7-8,10,12H2/t16-/m0/s1
InChIKeyCFCWSEPJYQLPOV-INIZCTEOSA-N
MW238.33 g/mol
LogP2.73
Rot. Bonds3

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

(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 30983305) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID30983305
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1cncc(CN[C@H]2CCc3ccccc3C2)c1
InChIInChI=1S/C16H18N2/c1-2-6-15-10-16(8-7-14(15)5-1)18-12-13-4-3-9-17-11-13/h1-6,9,11,16,18H,7-8,10,12H2/t16-/m0/s1
InChIKeyCFCWSEPJYQLPOV-INIZCTEOSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510305
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine
CID 95128968
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60664575
5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81300399
N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 89120982
N-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60658203
N-(pyridazin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106895183
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190
(2S)-N-[(3,5-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983162

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 30983305) is (2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is c1cncc(CN[C@H]2CCc3ccccc3C2)c1.
What is the InChIKey of (2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is CFCWSEPJYQLPOV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-6-15-10-16(8-7-14(15)5-1)18-12-13-4-3-9-17-11-13/h1-6,9,11,16,18H,7-8,10,12H2/t16-/m0/s1.
What are the key properties of (2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 238.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 30983305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).