N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine

C20H25N — CID 82540074

IUPACN-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(-c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C20H25N/c1-15(21-2)13-16-7-9-18(10-8-16)20-12-11-17-5-3-4-6-19(17)14-20/h7-12,14-15,21H,3-6,13H2,1-2H3
InChIKeyOFNUBBWGERTBFM-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.38
Rot. Bonds4

About N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine

N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine (PubChem CID 82540074) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine
PubChem CID82540074
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(-c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C20H25N/c1-15(21-2)13-16-7-9-18(10-8-16)20-12-11-17-5-3-4-6-19(17)14-20/h7-12,14-15,21H,3-6,13H2,1-2H3
InChIKeyOFNUBBWGERTBFM-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 82262476
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
N-methyl-1-(4-pyridin-4-ylphenyl)propan-2-amine
CID 82540626
N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]ethanamine
CID 63428245
(2R)-1-[4-(3,5-dimethoxyphenyl)phenyl]-N-methylpropan-2-amine
CID 69022765
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]cyclopropanamine
CID 82262583
3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115865082
5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65128332
N-methyl-1-phenylpropan-2-amine
CID 118309477

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine?
The IUPAC name of N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine (CID 82540074) is N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine?
The canonical SMILES for N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine is CNC(C)Cc1ccc(-c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine?
The InChIKey is OFNUBBWGERTBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15(21-2)13-16-7-9-18(10-8-16)20-12-11-17-5-3-4-6-19(17)14-20/h7-12,14-15,21H,3-6,13H2,1-2H3.
What are the key properties of N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine?
N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine is sourced from PubChem (CID 82540074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).