N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine

C19H23NO — CID 63488096

IUPACN-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESc1ccc(OCCCNc2cccc3c2CCCC3)cc1
InChIInChI=1S/C19H23NO/c1-2-10-17(11-3-1)21-15-7-14-20-19-13-6-9-16-8-4-5-12-18(16)19/h1-3,6,9-11,13,20H,4-5,7-8,12,14-15H2
InChIKeyFJJZHQSGHXOJRX-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.45
Rot. Bonds6

About N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine

N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 63488096) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID63488096
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESc1ccc(OCCCNc2cccc3c2CCCC3)cc1
InChIInChI=1S/C19H23NO/c1-2-10-17(11-3-1)21-15-7-14-20-19-13-6-9-16-8-4-5-12-18(16)19/h1-3,6,9-11,13,20H,4-5,7-8,12,14-15H2
InChIKeyFJJZHQSGHXOJRX-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.45
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-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 115871884
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020
N-propyl-2,3-dihydro-1H-inden-4-amine
CID 129164369
N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine
CID 60679696
N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 62341212
2-(3-anilinopropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721533
2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine
CID 106759609
N-(3-phenoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832621
N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60922527
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 55233075
2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 2295787

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 63488096) is N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine is c1ccc(OCCCNc2cccc3c2CCCC3)cc1.
What is the InChIKey of N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is FJJZHQSGHXOJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-10-17(11-3-1)21-15-7-14-20-19-13-6-9-16-8-4-5-12-18(16)19/h1-3,6,9-11,13,20H,4-5,7-8,12,14-15H2.
What are the key properties of N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63488096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).