7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H21N — CID 82542063

IUPAC7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc(-c2ccc3c(c2)C(N)CCC3)cc1C
InChIInChI=1S/C18H21N/c1-12-6-7-15(10-13(12)2)16-9-8-14-4-3-5-18(19)17(14)11-16/h6-11,18H,3-5,19H2,1-2H3
InChIKeyAPRCKQDKWHEZEG-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.31
Rot. Bonds1

About 7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 82542063) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID82542063
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc(-c2ccc3c(c2)C(N)CCC3)cc1C
InChIInChI=1S/C18H21N/c1-12-6-7-15(10-13(12)2)16-9-8-14-4-3-5-18(19)17(14)11-16/h6-11,18H,3-5,19H2,1-2H3
InChIKeyAPRCKQDKWHEZEG-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 114081049
7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82542217
(1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 162344374
4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid
CID 82541831
1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 21256693
(1R)-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 55277801
7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82541544
7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82541502
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537
(1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 55273686
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
2-[7-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 82542874

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 82542063) is 7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccc(-c2ccc3c(c2)C(N)CCC3)cc1C.
What is the InChIKey of 7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is APRCKQDKWHEZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-12-6-7-15(10-13(12)2)16-9-8-14-4-3-5-18(19)17(14)11-16/h6-11,18H,3-5,19H2,1-2H3.
What are the key properties of 7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 82542063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).