2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine

C23H32BrNO — CID 67414258

IUPAC2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine
SMILESCC(C)(N)c1ccc2c(Br)c(OC3CCC(C(C)(C)C)CC3)ccc2c1
InChIInChI=1S/C23H32BrNO/c1-22(2,3)16-7-10-18(11-8-16)26-20-13-6-15-14-17(23(4,5)25)9-12-19(15)21(20)24/h6,9,12-14,16,18H,7-8,10-11,25H2,1-5H3
InChIKeyJVSDFPIVUHSBNT-UHFFFAOYSA-N
MW418.42 g/mol
LogP6.78
Rot. Bonds3

About 2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine

2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine (PubChem CID 67414258) has the molecular formula C23H32BrNO and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine
PubChem CID67414258
Molecular FormulaC23H32BrNO
Molecular Weight418.42 g/mol
Exact Mass417.17
IUPAC Name2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine
SMILESCC(C)(N)c1ccc2c(Br)c(OC3CCC(C(C)(C)C)CC3)ccc2c1
InChIInChI=1S/C23H32BrNO/c1-22(2,3)16-7-10-18(11-8-16)26-20-13-6-15-14-17(23(4,5)25)9-12-19(15)21(20)24/h6,9,12-14,16,18H,7-8,10-11,25H2,1-5H3
InChIKeyJVSDFPIVUHSBNT-UHFFFAOYSA-N
XLogP6.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Bromo-6-cyclohexyl-2-phenylmethoxynaphthalene
CID 164672868
2-[6-(4-Tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-2-amine
CID 67413108
2-[6-[4-(Trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine
CID 67413307
2-[6-[4-(1,1-Difluoroethyl)cyclohexyl]oxynaphthalen-2-yl]propan-2-amine
CID 67414813
5-Bromo-1,2,3,4-tetrahydro-6-methoxy-1,1,4,4-tetramethylanthracene
CID 165350572
(5-Bromo-6-methoxy-2-naphthyl)methanamine
CID 18505319
N-[(5-bromo-6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505342
(R)-2-amino-2-(6-(trans-4-tert-butylcyclohexyloxy)naphthalen-2-yl)propan-1-ol
CID 46196171
(2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol
CID 46196226
3-(6-(trans-4-Tert-butylcyclohexyloxy)naphthalen-2-yl)oxetan-3-amine
CID 46196284
(2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol
CID 46196315
1-(2-Bromophenyl)-3-naphthalen-2-yloxybutan-1-amine
CID 57104294

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine?
The IUPAC name of 2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine (CID 67414258) is 2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine.
What is the SMILES notation for 2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine?
The canonical SMILES for 2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine is CC(C)(N)c1ccc2c(Br)c(OC3CCC(C(C)(C)C)CC3)ccc2c1.
What is the InChIKey of 2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine?
The InChIKey is JVSDFPIVUHSBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32BrNO/c1-22(2,3)16-7-10-18(11-8-16)26-20-13-6-15-14-17(23(4,5)25)9-12-19(15)21(20)24/h6,9,12-14,16,18H,7-8,10-11,25H2,1-5H3.
What are the key properties of 2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine?
2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine has a molecular weight of 418.42 g/mol, XLogP of 6.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine is sourced from PubChem (CID 67414258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).