N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine

C18H21N — CID 54863084

IUPACN-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCc1ccc(C(C)NC2Cc3ccccc3C2)cc1
InChIInChI=1S/C18H21N/c1-13-7-9-15(10-8-13)14(2)19-18-11-16-5-3-4-6-17(16)12-18/h3-10,14,18-19H,11-12H2,1-2H3
InChIKeyWWOLDGBLVKSBAD-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.81
Rot. Bonds3

About N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine

N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 54863084) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID54863084
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCc1ccc(C(C)NC2Cc3ccccc3C2)cc1
InChIInChI=1S/C18H21N/c1-13-7-9-15(10-8-13)14(2)19-18-11-16-5-3-4-6-17(16)12-18/h3-10,14,18-19H,11-12H2,1-2H3
InChIKeyWWOLDGBLVKSBAD-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 81348211
5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 115349151
N-[1-(4-propylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849918
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81351587
N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81353163
N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561638
1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 81349548
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849957
2,6-ditert-butyl-4-[1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]phenol
CID 88613087
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 54863084) is N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is Cc1ccc(C(C)NC2Cc3ccccc3C2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is WWOLDGBLVKSBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-7-9-15(10-8-13)14(2)19-18-11-16-5-3-4-6-17(16)12-18/h3-10,14,18-19H,11-12H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 54863084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).