N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C23H23NO — CID 15078242

IUPACN-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1ccc(COc2ccc(NC3CCc4ccccc4C3)cc2)cc1
InChIInChI=1S/C23H23NO/c1-2-6-18(7-3-1)17-25-23-14-12-21(13-15-23)24-22-11-10-19-8-4-5-9-20(19)16-22/h1-9,12-15,22,24H,10-11,16-17H2
InChIKeyHYZIWYPOKOOTRF-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.24
Rot. Bonds5

About N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 15078242) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID15078242
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC NameN-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1ccc(COc2ccc(NC3CCc4ccccc4C3)cc2)cc1
InChIInChI=1S/C23H23NO/c1-2-6-18(7-3-1)17-25-23-14-12-21(13-15-23)24-22-11-10-19-8-4-5-9-20(19)16-22/h1-9,12-15,22,24H,10-11,16-17H2
InChIKeyHYZIWYPOKOOTRF-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,2,3,4-tetrahydronaphthalen-2-ylamino)phenyl]ethanol
CID 61236425
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43759178
(2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide
CID 57222877
6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol
CID 23635616
N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxalin-6-amine
CID 60943397
2-[4-(2,3-dihydro-1H-inden-2-ylamino)phenoxy]acetamide
CID 43711232
methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate
CID 94014303
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267
N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63492101
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43783705

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 15078242) is N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is c1ccc(COc2ccc(NC3CCc4ccccc4C3)cc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HYZIWYPOKOOTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-2-6-18(7-3-1)17-25-23-14-12-21(13-15-23)24-22-11-10-19-8-4-5-9-20(19)16-22/h1-9,12-15,22,24H,10-11,16-17H2.
What are the key properties of N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 329.44 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 15078242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).