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

C18H21N — CID 43079139

IUPACN-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccccc1CNC1CCCc2ccccc21
InChIInChI=1S/C18H21N/c1-14-7-2-3-9-16(14)13-19-18-12-6-10-15-8-4-5-11-17(15)18/h2-5,7-9,11,18-19H,6,10,12-13H2,1H3
InChIKeyUBMUMVMPHZALGO-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.16
Rot. Bonds3

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

N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43079139) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43079139
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccccc1CNC1CCCc2ccccc21
InChIInChI=1S/C18H21N/c1-14-7-2-3-9-16(14)13-19-18-12-6-10-15-8-4-5-11-17(15)18/h2-5,7-9,11,18-19H,6,10,12-13H2,1H3
InChIKeyUBMUMVMPHZALGO-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43220614
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62123469
7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79231019
N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106862360
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593
4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzene-1,2,3-triol
CID 107730407
2-fluoro-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenol
CID 115951009
9-methyl-N-[(2-methylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 60912773
N-[(2,3,4-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3126346
N-[(2,3,6-trichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43234580
N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80708052

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43079139) is N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccccc1CNC1CCCc2ccccc21.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UBMUMVMPHZALGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-14-7-2-3-9-16(14)13-19-18-12-6-10-15-8-4-5-11-17(15)18/h2-5,7-9,11,18-19H,6,10,12-13H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43079139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).