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

C20H25N — CID 63403548

IUPACN-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1Cc1cccc(C)c1
InChIInChI=1S/C20H25N/c1-3-21-20-18(14-16-8-6-7-15(2)13-16)12-11-17-9-4-5-10-19(17)20/h4-10,13,18,20-21H,3,11-12,14H2,1-2H3
InChIKeyRZJBIYULVKCXBF-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.45
Rot. Bonds4

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

N-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 63403548) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID63403548
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1Cc1cccc(C)c1
InChIInChI=1S/C20H25N/c1-3-21-20-18(14-16-8-6-7-15(2)13-16)12-11-17-9-4-5-10-19(17)20/h4-10,13,18,20-21H,3,11-12,14H2,1-2H3
InChIKeyRZJBIYULVKCXBF-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,5-dimethylphenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63399923
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
2-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103038628
1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63473353
2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 70034048
N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103004433
3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79736974
N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63773845
6-butyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403512
N-ethyl-2-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656023
N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782
(3R,9bS)-2-methyl-3-[(3-methylphenyl)methyl]-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole;hydrochloride
CID 67854144

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 63403548) is N-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2ccccc2CCC1Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is RZJBIYULVKCXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-3-21-20-18(14-16-8-6-7-15(2)13-16)12-11-17-9-4-5-10-19(17)20/h4-10,13,18,20-21H,3,11-12,14H2,1-2H3.
What are the key properties of N-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 279.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63403548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).