2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

C29H33NO3 — CID 13274742

IUPAC2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2CCC1NC1CCCC1
InChIInChI=1S/C29H33NO3/c31-28-24-16-18-27(32-19-21-9-3-1-4-10-21)29(33-20-22-11-5-2-6-12-22)25(24)15-17-26(28)30-23-13-7-8-14-23/h1-6,9-12,16,18,23,26,28,30-31H,7-8,13-15,17,19-20H2
InChIKeyFKEBZDMQMHYZEI-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.72
Rot. Bonds8

About 2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 13274742) has the molecular formula C29H33NO3 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID13274742
Molecular FormulaC29H33NO3
Molecular Weight443.59 g/mol
Exact Mass443.25
IUPAC Name2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2CCC1NC1CCCC1
InChIInChI=1S/C29H33NO3/c31-28-24-16-18-27(32-19-21-9-3-1-4-10-21)29(33-20-22-11-5-2-6-12-22)25(24)15-17-26(28)30-23-13-7-8-14-23/h1-6,9-12,16,18,23,26,28,30-31H,7-8,13-15,17,19-20H2
InChIKeyFKEBZDMQMHYZEI-UHFFFAOYSA-N
XLogP5.72
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13286542
5-[benzyl(methyl)amino]-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol;oxalic acid
CID 21425573
methyl 6-(tert-butylamino)-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride
CID 21425625
6-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
CID 13274736
(5R,6R)-6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 13067471
benzyl N-(6-amino-5-hydroxy-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-methylcarbamate;hydrochloride
CID 21425537
N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide
CID 57194165
trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol
CID 18653088
2-[1-(1H-indol-3-yl)propan-2-ylamino]-5-nitro-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 21425561
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
CID 4721414
N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456122
8-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 102424590

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 13274742) is 2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is OC1c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2CCC1NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is FKEBZDMQMHYZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO3/c31-28-24-16-18-27(32-19-21-9-3-1-4-10-21)29(33-20-22-11-5-2-6-12-22)25(24)15-17-26(28)30-23-13-7-8-14-23/h1-6,9-12,16,18,23,26,28,30-31H,7-8,13-15,17,19-20H2.
What are the key properties of 2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 443.59 g/mol, XLogP of 5.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 13274742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).