3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine

C23H28ClNO — CID 91346977

IUPAC3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine
SMILESNC1CCCCC(C2CCc3ccccc3C2Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H28ClNO/c24-18-10-12-20(13-11-18)26-23-21-8-4-2-5-16(21)9-14-22(23)17-6-1-3-7-19(25)15-17/h2,4-5,8,10-13,17,19,22-23H,1,3,6-7,9,14-15,25H2
InChIKeyPBJYONBGVOVPTE-UHFFFAOYSA-N
MW369.94 g/mol
LogP5.93
Rot. Bonds3

About 3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine

3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine (PubChem CID 91346977) has the molecular formula C23H28ClNO and a molecular weight of 369.94 g/mol. Its IUPAC name is 3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine
PubChem CID91346977
Molecular FormulaC23H28ClNO
Molecular Weight369.94 g/mol
Exact Mass369.19
IUPAC Name3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine
SMILESNC1CCCCC(C2CCc3ccccc3C2Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H28ClNO/c24-18-10-12-20(13-11-18)26-23-21-8-4-2-5-16(21)9-14-22(23)17-6-1-3-7-19(25)15-17/h2,4-5,8,10-13,17,19,22-23H,1,3,6-7,9,14-15,25H2
InChIKeyPBJYONBGVOVPTE-UHFFFAOYSA-N
XLogP5.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.94
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol
CID 91027516
(1S)-3-[(1R,2R)-1-(4-bromo-3-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine
CID 143950608
(3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393518
(1S)-N-methyl-3-[(1R,2R)-1-naphthalen-1-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexan-1-amine
CID 143950948
(1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 143950496
cyclododecanamine;2,3-dihydro-1H-inden-1-amine
CID 157151284
(1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene
CID 70908999
(3R)-1-[(1S,2S)-1-(4-methylsulfanylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393687
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
(3S)-1-[1-[4-(1,2,4-triazol-1-yl)phenoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 67310335
2-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzonitrile
CID 58394036
2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide
CID 58393446

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine?
The IUPAC name of 3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine (CID 91346977) is 3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine.
What is the SMILES notation for 3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine?
The canonical SMILES for 3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine is NC1CCCCC(C2CCc3ccccc3C2Oc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine?
The InChIKey is PBJYONBGVOVPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO/c24-18-10-12-20(13-11-18)26-23-21-8-4-2-5-16(21)9-14-22(23)17-6-1-3-7-19(25)15-17/h2,4-5,8,10-13,17,19,22-23H,1,3,6-7,9,14-15,25H2.
What are the key properties of 3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine?
3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine has a molecular weight of 369.94 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine is sourced from PubChem (CID 91346977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).