N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine

C18H21NO — CID 60679696

IUPACN-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine
SMILESc1ccc(OCCCNc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H21NO/c1-2-8-18(9-3-1)20-13-5-12-19-17-11-10-15-6-4-7-16(15)14-17/h1-3,8-11,14,19H,4-7,12-13H2
InChIKeyVFHZHTDNCFKFSX-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.06
Rot. Bonds6

About N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine

N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 60679696) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine
PubChem CID60679696
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine
SMILESc1ccc(OCCCNc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H21NO/c1-2-8-18(9-3-1)20-13-5-12-19-17-11-10-15-6-4-7-16(15)14-17/h1-3,8-11,14,19H,4-7,12-13H2
InChIKeyVFHZHTDNCFKFSX-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline
CID 62599410
N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59229873
N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine
CID 114209369
3-chloro-4-methyl-N-(3-phenoxypropyl)aniline
CID 63489969
3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline
CID 63515935
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115197636
1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine
CID 115205117
N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 63488096
4-N-(2-phenoxyethyl)benzene-1,2,4-triamine
CID 106750634
3-(chloromethyl)-N-(3-phenoxypropyl)aniline
CID 65024204
N-(2-phenoxyethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 60680266
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine
CID 64554180

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine (CID 60679696) is N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine is c1ccc(OCCCNc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is VFHZHTDNCFKFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-8-18(9-3-1)20-13-5-12-19-17-11-10-15-6-4-7-16(15)14-17/h1-3,8-11,14,19H,4-7,12-13H2.
What are the key properties of N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine?
N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 267.37 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 60679696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).