3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine

C20H21N — CID 105141723

IUPAC3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine
SMILESCc1cccc(CCC(N)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H21N/c1-15-5-4-6-16(13-15)9-12-20(21)19-11-10-17-7-2-3-8-18(17)14-19/h2-8,10-11,13-14,20H,9,12,21H2,1H3
InChIKeyHTTLKHWMBMPCGV-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.78
Rot. Bonds4

About 3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine

3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine (PubChem CID 105141723) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine
PubChem CID105141723
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine
SMILESCc1cccc(CCC(N)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H21N/c1-15-5-4-6-16(13-15)9-12-20(21)19-11-10-17-7-2-3-8-18(17)14-19/h2-8,10-11,13-14,20H,9,12,21H2,1H3
InChIKeyHTTLKHWMBMPCGV-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 107130176
1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine
CID 105086643
1-naphthalen-2-yl-4-phenylbutan-1-amine
CID 63416758
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
2-(3-methylphenoxy)-1-naphthalen-2-ylethanamine
CID 43093388
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
CID 115354108
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
2-(2,5-dimethylphenyl)-1-naphthalen-2-ylethanamine
CID 63416579
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine (CID 105141723) is 3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine is Cc1cccc(CCC(N)c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine?
The InChIKey is HTTLKHWMBMPCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-15-5-4-6-16(13-15)9-12-20(21)19-11-10-17-7-2-3-8-18(17)14-19/h2-8,10-11,13-14,20H,9,12,21H2,1H3.
What are the key properties of 3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine?
3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine is sourced from PubChem (CID 105141723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).